 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Boat_STD_M11-def2SVPDr.in
 Output=27_methylindane_Boat_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/27_methylindane_Boat_STD/Gau-43951.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/27_methylindane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     43952.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=27_methylindane_Boat_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 15:53:23 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Boat_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.164986000000     -1.224920000000     -0.005005000000
  C                                                -2.642020000000      0.073409000000      0.146690000000
  C                                                -1.762079000000      1.153232000000      0.130794000000
  C                                                -0.405452000000      0.917524000000     -0.034454000000
  C                                                 0.074285000000     -0.384887000000     -0.186400000000
  C                                                -0.802207000000     -1.459935000000     -0.173869000000
  C                                                 1.577720000000     -0.384146000000     -0.367381000000
  C                                                 1.970002000000      1.020984000000      0.144037000000
  C                                                 0.731931000000      1.906712000000     -0.098518000000
  H                                                -2.856720000000     -2.057467000000      0.013689000000
  H                                                -3.702276000000      0.244250000000      0.283207000000
  H                                                -2.135971000000      2.162786000000      0.253773000000
  H                                                -0.437393000000     -2.473544000000     -0.286670000000
  H                                                 1.789870000000     -0.436688000000     -1.443748000000
  C                                                 2.317593000000     -1.524644000000      0.320775000000
  H                                                 2.873170000000      1.403772000000     -0.331853000000
  H                                                 2.163642000000      0.958387000000      1.218672000000
  H                                                 0.772481000000      2.369953000000     -1.090624000000
  H                                                 0.637692000000      2.716269000000      0.626868000000
  H                                                 2.108272000000     -1.526468000000      1.392826000000
  H                                                 3.396620000000     -1.425796000000      0.184958000000
  H                                                 2.021897000000     -2.495429000000     -0.081110000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 15:53:23 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391485   0.000000
     3  C    2.415861   1.393042   0.000000
     4  C    2.772525   2.397411   1.386832   0.000000
     5  C    2.398519   2.774761   2.416331   1.396248   0.000000
     6  C    1.393167   2.416364   2.800503   2.414366   1.387128
     7  C    3.853059   4.275492   3.710252   2.395445   1.514289
     8  C    4.707911   4.708360   3.734447   2.384396   2.383150
     9  C    4.267082   3.847684   2.615416   1.508720   2.385717
    10  H    1.082580   2.145791   3.394192   3.855075   3.380584
    11  H    2.145877   1.082574   2.147986   3.379831   3.857299
    12  H    3.397699   2.152452   1.083567   2.151383   3.401415
    13  H    2.150110   3.396344   3.883629   3.400585   2.152756
    14  H    4.281609   4.736174   4.198020   2.939292   2.127637
    15  C    4.504385   5.213621   4.883732   3.674962   2.566847
    16  H    5.692088   5.693522   4.665013   3.327799   3.324788
    17  H    5.000124   5.002671   4.078324   2.858713   2.853774
    18  H    4.767640   4.296961   3.065333   2.147690   2.982322
    19  H    4.877216   4.239315   2.906557   2.181967   3.255150
    20  H    4.506173   5.165049   4.873719   3.785371   2.816783
    21  H    5.568474   6.222078   5.767711   4.471582   3.501329
    22  H    4.376068   5.329441   5.260808   4.188371   2.873789
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.618935   0.000000
     8  C    3.733787   1.545906   0.000000
     9  C    3.700482   2.456761   1.541482   0.000000
    10  H    2.147847   4.754942   5.726351   5.348432   0.000000
    11  H    3.394638   5.356912   5.726903   4.750967   2.466882
    12  H    3.884059   4.545789   4.263188   2.900783   4.288083
    13  H    1.083151   2.903925   4.265300   4.537550   2.473152
    14  H    3.062432   1.098332   2.162942   2.901793   5.132431
    15  C    3.159432   1.523715   2.575321   3.803201   5.210731
    16  H    4.661992   2.208190   1.090280   2.211854   6.703075
    17  H    4.072310   2.158996   1.093735   2.164280   5.979247
    18  H    4.241241   2.959147   2.185901   1.095678   5.830322
    19  H    4.489451   3.388917   2.209563   1.091077   5.947727
    20  H    3.306032   2.164420   2.840441   3.988126   5.180263
    21  H    4.214270   2.167605   2.832604   4.276276   6.287496
    22  H    3.009388   2.176410   3.523996   4.587282   4.899153
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.476885   0.000000
    13  H    4.286097   4.967172   0.000000
    14  H    5.797389   5.005104   3.232385   0.000000
    15  C    6.274490   5.782375   2.976466   2.139084   0.000000
    16  H    6.705168   5.100054   5.098573   2.407726   3.051264
    17  H    5.982815   4.568181   4.561753   3.028931   2.644875
    18  H    5.140961   3.210828   5.056639   3.006162   4.421233
    19  H    5.006426   2.852849   5.378152   3.944123   4.571772
    20  H    6.174882   5.737738   3.193442   3.055348   1.092297
    21  H    7.293355   6.594863   4.002482   2.492522   1.092024
    22  H    6.356471   6.252918   2.467963   2.479724   1.091500
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.762364   0.000000
    18  H    2.433543   3.043139   0.000000
    19  H    2.763902   2.401854   1.757237   0.000000
    20  H    3.485096   2.491566   4.809777   4.555229   0.000000
    21  H    2.923619   2.876305   4.787580   4.996366   1.768875
    22  H    3.998913   3.693016   5.123680   5.438663   1.766022
                   21         22
    21  H    0.000000
    22  H    1.762036   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.53D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3914598           1.2314279           0.8455004
 Leave Link  202 at Fri Jul 23 15:53:24 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   316 symmetry adapted cartesian basis functions of A   symmetry.
 There are   296 symmetry adapted basis functions of A   symmetry.
   296 basis functions,   440 primitive gaussians,   316 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       504.1844683919 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 15:53:25 2021, MaxMem= 10737418240 cpu:              14.1 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   296 RedAO= T EigKep=  4.82D-06  NBF=   296
 NBsUse=   296 1.00D-06 EigRej= -1.00D+00 NBFU=   296
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   316   316   316   316   316 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Fri Jul 23 15:53:26 2021, MaxMem= 10737418240 cpu:               7.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 15:53:26 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Boat_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 15:53:27 2021, MaxMem= 10737418240 cpu:               7.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737210298 LenY= 10737110001
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -387.744233033396    
 DIIS: error= 4.94D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -387.744233033396     IErMin= 1 ErrMin= 4.94D-03
 ErrMax= 4.94D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-02 BMatP= 1.21D-02
 IDIUse=3 WtCom= 9.51D-01 WtEn= 4.94D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.392 Goal=   None    Shift=    0.000
 GapD=    0.392 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.21D-02 MaxDP=5.82D-01              OVMax= 1.93D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.03D-02    CP:  1.21D+00
 E= -387.757966293527     Delta-E=       -0.013733260131 Rises=F Damp=F
 DIIS: error= 5.71D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -387.757966293527     IErMin= 2 ErrMin= 5.71D-04
 ErrMax= 5.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-04 BMatP= 1.21D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.71D-03
 Coeff-Com: -0.104D+00 0.110D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.104D+00 0.110D+01
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=2.87D-03 MaxDP=1.14D-01 DE=-1.37D-02 OVMax= 4.74D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.34D-03    CP:  1.28D+00  1.15D+00
 E= -387.758473729743     Delta-E=       -0.000507436217 Rises=F Damp=F
 DIIS: error= 1.77D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -387.758473729743     IErMin= 3 ErrMin= 1.77D-04
 ErrMax= 1.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-05 BMatP= 2.68D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.77D-03
 Coeff-Com: -0.212D-01 0.697D-01 0.951D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.211D-01 0.696D-01 0.951D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.61D-04 MaxDP=6.47D-03 DE=-5.07D-04 OVMax= 1.09D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.34D-04    CP:  1.28D+00  1.16D+00  1.03D+00
 E= -387.758492433395     Delta-E=       -0.000018703651 Rises=F Damp=F
 DIIS: error= 4.85D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -387.758492433395     IErMin= 4 ErrMin= 4.85D-05
 ErrMax= 4.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-06 BMatP= 1.51D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.512D-03-0.406D-01 0.257D+00 0.784D+00
 Coeff:     -0.512D-03-0.406D-01 0.257D+00 0.784D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=4.28D-05 MaxDP=1.31D-03 DE=-1.87D-05 OVMax= 7.19D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.21D-05    CP:  1.28D+00  1.16D+00  1.05D+00  1.07D+00
 E= -387.758495200223     Delta-E=       -0.000002766829 Rises=F Damp=F
 DIIS: error= 2.29D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -387.758495200223     IErMin= 5 ErrMin= 2.29D-05
 ErrMax= 2.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-07 BMatP= 2.63D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.180D-02-0.226D-01 0.937D-02 0.319D+00 0.692D+00
 Coeff:      0.180D-02-0.226D-01 0.937D-02 0.319D+00 0.692D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.58D-05 MaxDP=5.28D-04 DE=-2.77D-06 OVMax= 2.56D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.12D-05    CP:  1.28D+00  1.16D+00  1.05D+00  1.13D+00  8.65D-01
 E= -387.758495735504     Delta-E=       -0.000000535281 Rises=F Damp=F
 DIIS: error= 6.40D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -387.758495735504     IErMin= 6 ErrMin= 6.40D-06
 ErrMax= 6.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-08 BMatP= 5.04D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.629D-03-0.499D-02-0.165D-01 0.503D-01 0.228D+00 0.742D+00
 Coeff:      0.629D-03-0.499D-02-0.165D-01 0.503D-01 0.228D+00 0.742D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=4.93D-06 MaxDP=1.40D-04 DE=-5.35D-07 OVMax= 9.50D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.49D-06    CP:  1.28D+00  1.16D+00  1.05D+00  1.14D+00  9.41D-01
                    CP:  1.00D+00
 E= -387.758495775676     Delta-E=       -0.000000040172 Rises=F Damp=F
 DIIS: error= 1.57D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -387.758495775676     IErMin= 7 ErrMin= 1.57D-06
 ErrMax= 1.57D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.17D-09 BMatP= 2.88D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-03 0.243D-02-0.397D-02-0.343D-01-0.640D-01 0.112D+00
 Coeff-Com:  0.988D+00
 Coeff:     -0.151D-03 0.243D-02-0.397D-02-0.343D-01-0.640D-01 0.112D+00
 Coeff:      0.988D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.00D-06 MaxDP=5.45D-05 DE=-4.02D-08 OVMax= 3.60D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.43D-06    CP:  1.28D+00  1.16D+00  1.05D+00  1.15D+00  9.50D-01
                    CP:  1.09D+00  1.16D+00
 E= -387.758495780989     Delta-E=       -0.000000005313 Rises=F Damp=F
 DIIS: error= 8.63D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -387.758495780989     IErMin= 8 ErrMin= 8.63D-07
 ErrMax= 8.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-10 BMatP= 2.17D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.755D-04 0.927D-03-0.213D-03-0.111D-01-0.305D-01-0.134D-01
 Coeff-Com:  0.239D+00 0.815D+00
 Coeff:     -0.755D-04 0.927D-03-0.213D-03-0.111D-01-0.305D-01-0.134D-01
 Coeff:      0.239D+00 0.815D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=6.20D-07 MaxDP=2.09D-05 DE=-5.31D-09 OVMax= 1.56D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.50D-07    CP:  1.28D+00  1.16D+00  1.05D+00  1.15D+00  9.51D-01
                    CP:  1.10D+00  1.21D+00  1.19D+00
 E= -387.758495781596     Delta-E=       -0.000000000607 Rises=F Damp=F
 DIIS: error= 3.35D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -387.758495781596     IErMin= 9 ErrMin= 3.35D-07
 ErrMax= 3.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.54D-11 BMatP= 2.24D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.142D-04-0.298D-03 0.664D-03 0.478D-02 0.591D-02-0.231D-01
 Coeff-Com: -0.153D+00 0.163D+00 0.100D+01
 Coeff:      0.142D-04-0.298D-03 0.664D-03 0.478D-02 0.591D-02-0.231D-01
 Coeff:     -0.153D+00 0.163D+00 0.100D+01
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=3.70D-07 MaxDP=1.06D-05 DE=-6.07D-10 OVMax= 1.02D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.73D-07    CP:  1.28D+00  1.16D+00  1.05D+00  1.15D+00  9.50D-01
                    CP:  1.11D+00  1.24D+00  1.31D+00  1.24D+00
 E= -387.758495781815     Delta-E=       -0.000000000219 Rises=F Damp=F
 DIIS: error= 1.94D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -387.758495781815     IErMin=10 ErrMin= 1.94D-07
 ErrMax= 1.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.51D-12 BMatP= 4.54D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-04-0.150D-03 0.104D-03 0.202D-02 0.475D-02 0.695D-03
 Coeff-Com: -0.473D-01-0.102D+00 0.857D-01 0.106D+01
 Coeff:      0.112D-04-0.150D-03 0.104D-03 0.202D-02 0.475D-02 0.695D-03
 Coeff:     -0.473D-01-0.102D+00 0.857D-01 0.106D+01
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=1.12D-07 MaxDP=2.31D-06 DE=-2.19D-10 OVMax= 5.03D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.51D-08    CP:  1.28D+00  1.16D+00  1.05D+00  1.15D+00  9.50D-01
                    CP:  1.11D+00  1.24D+00  1.33D+00  1.36D+00  1.29D+00
 E= -387.758495781851     Delta-E=       -0.000000000036 Rises=F Damp=F
 DIIS: error= 6.42D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -387.758495781851     IErMin=11 ErrMin= 6.42D-08
 ErrMax= 6.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-12 BMatP= 6.51D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.637D-06 0.153D-04-0.104D-03-0.419D-03 0.111D-03 0.504D-02
 Coeff-Com:  0.187D-01-0.621D-01-0.186D+00 0.259D+00 0.966D+00
 Coeff:      0.637D-06 0.153D-04-0.104D-03-0.419D-03 0.111D-03 0.504D-02
 Coeff:      0.187D-01-0.621D-01-0.186D+00 0.259D+00 0.966D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=7.22D-08 MaxDP=2.30D-06 DE=-3.59D-11 OVMax= 2.24D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.82D-08    CP:  1.28D+00  1.16D+00  1.05D+00  1.15D+00  9.50D-01
                    CP:  1.11D+00  1.24D+00  1.33D+00  1.40D+00  1.46D+00
                    CP:  1.37D+00
 E= -387.758495781838     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 2.83D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -387.758495781851     IErMin=12 ErrMin= 2.83D-08
 ErrMax= 2.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-13 BMatP= 1.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.140D-05 0.262D-04-0.453D-04-0.434D-03-0.676D-03 0.143D-02
 Coeff-Com:  0.129D-01-0.502D-02-0.691D-01-0.690D-01 0.307D+00 0.823D+00
 Coeff:     -0.140D-05 0.262D-04-0.453D-04-0.434D-03-0.676D-03 0.143D-02
 Coeff:      0.129D-01-0.502D-02-0.691D-01-0.690D-01 0.307D+00 0.823D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=2.56D-08 MaxDP=7.20D-07 DE= 1.24D-11 OVMax= 5.88D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.42D-09    CP:  1.28D+00  1.16D+00  1.05D+00  1.15D+00  9.50D-01
                    CP:  1.11D+00  1.24D+00  1.33D+00  1.40D+00  1.48D+00
                    CP:  1.51D+00  1.10D+00
 E= -387.758495781842     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 8.04D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -387.758495781851     IErMin=13 ErrMin= 8.04D-09
 ErrMax= 8.04D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-14 BMatP= 2.04D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.430D-06 0.545D-05-0.582D-06-0.704D-04-0.191D-03-0.211D-03
 Coeff-Com:  0.141D-02 0.559D-02 0.227D-02-0.496D-01-0.276D-01 0.246D+00
 Coeff-Com:  0.822D+00
 Coeff:     -0.430D-06 0.545D-05-0.582D-06-0.704D-04-0.191D-03-0.211D-03
 Coeff:      0.141D-02 0.559D-02 0.227D-02-0.496D-01-0.276D-01 0.246D+00
 Coeff:      0.822D+00
 Gap=     0.380 Goal=   None    Shift=    0.000
 RMSDP=5.84D-09 MaxDP=1.67D-07 DE=-3.30D-12 OVMax= 1.65D-07

 SCF Done:  E(RM11) =  -387.758495782     A.U. after   13 cycles
            NFock= 13  Conv=0.58D-08     -V/T= 2.0127
 KE= 3.829079384903D+02 PE=-1.904108937295D+03 EE= 6.292580346306D+02
 Leave Link  502 at Fri Jul 23 15:55:17 2021, MaxMem= 10737418240 cpu:            1748.1 elap:             109.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   296
 NBasis=   296 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    296 NOA=    36 NOB=    36 NVA=   260 NVB=   260

 **** Warning!!: The largest alpha MO coefficient is  0.83474228D+02

 Leave Link  801 at Fri Jul 23 15:55:18 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6641 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.56D-13 8.33D-09 XBig12= 1.00D+00 3.63D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.56D-13 8.33D-09 XBig12= 1.71D-01 6.86D-02.
     11 vectors produced by pass  2 Test12= 1.56D-13 8.33D-09 XBig12= 2.79D-02 5.30D-02.
     11 vectors produced by pass  3 Test12= 1.56D-13 8.33D-09 XBig12= 2.41D-03 1.26D-02.
     11 vectors produced by pass  4 Test12= 1.56D-13 8.33D-09 XBig12= 2.27D-04 2.57D-03.
     11 vectors produced by pass  5 Test12= 1.56D-13 8.33D-09 XBig12= 1.30D-05 6.59D-04.
     11 vectors produced by pass  6 Test12= 1.56D-13 8.33D-09 XBig12= 3.57D-07 1.83D-04.
     11 vectors produced by pass  7 Test12= 1.56D-13 8.33D-09 XBig12= 1.14D-08 2.42D-05.
     11 vectors produced by pass  8 Test12= 1.56D-13 8.33D-09 XBig12= 3.74D-10 3.27D-06.
     11 vectors produced by pass  9 Test12= 1.56D-13 8.33D-09 XBig12= 8.19D-12 3.34D-07.
      7 vectors produced by pass 10 Test12= 1.56D-13 8.33D-09 XBig12= 1.60D-13 7.16D-08.
      1 vectors produced by pass 11 Test12= 1.56D-13 8.33D-09 XBig12= 5.69D-15 1.15D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.143571D+03
      2  0.182749D+01  0.126122D+03
      3 -0.351309D+01  0.156966D+01  0.793237D+02
 Isotropic polarizability for W=    0.085645      116.34 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.728877D+02 -0.152626D+02  0.141337D+02
      2   0.368797D+02  0.131051D+01 -0.134200D+02
      3   0.360080D+02  0.139521D+02 -0.713695D+00
      4  -0.270162D+02 -0.318293D+02 -0.105818D+02
      5   0.151015D+02 -0.135225D+02  0.360164D+02
      6  -0.716824D+01 -0.133312D+01  0.201691D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.374080D+00  0.966073D+00  0.130440D+01
      2   0.100325D+02 -0.551134D+01  0.144562D+02
      3   0.407347D+00  0.309934D+02  0.507007D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.294066D+01  0.120869D+02  0.119352D+02
      2  -0.967774D+00 -0.341361D+01  0.835057D-02
      3  -0.117536D+02  0.687090D+02  0.635427D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.955801D+00 -0.135974D+01 -0.405239D+00
      2  -0.135974D+01  0.186867D+01 -0.277272D+01
      3  -0.405239D+00 -0.277272D+01 -0.980065D+00
 OR G Eigenvalues:    -3.1997    -0.6274     3.7599  Iso=     0.0224
 Eigenvectors:
   (1)   0.446045   0.518690   0.729386
   (2)   0.871346  -0.065504  -0.486277
   (3)  -0.204449   0.852449  -0.481176
 w=    0.085645 a.u., Optical Rotation Beta=      0.0224 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =        8.03 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   43956 ScalPx= 7.93D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.44D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.60D-14 2.78D-09 XBig12= 1.00D+00 3.29D-01.
     30 vectors produced by pass  1 Test12= 2.60D-14 2.78D-09 XBig12= 3.68D-02 3.28D-02.
     30 vectors produced by pass  2 Test12= 2.60D-14 2.78D-09 XBig12= 1.80D-03 8.48D-03.
     30 vectors produced by pass  3 Test12= 2.60D-14 2.78D-09 XBig12= 3.81D-05 7.63D-04.
     30 vectors produced by pass  4 Test12= 2.60D-14 2.78D-09 XBig12= 6.56D-07 9.64D-05.
     30 vectors produced by pass  5 Test12= 2.60D-14 2.78D-09 XBig12= 6.93D-09 9.50D-06.
     30 vectors produced by pass  6 Test12= 2.60D-14 2.78D-09 XBig12= 7.29D-11 9.75D-07.
     30 vectors produced by pass  7 Test12= 2.60D-14 2.78D-09 XBig12= 7.08D-13 1.16D-07.
     19 vectors produced by pass  8 Test12= 2.60D-14 2.78D-09 XBig12= 6.97D-15 8.12D-09.
     12 vectors produced by pass  9 Test12= 2.60D-14 2.78D-09 XBig12= 3.08D-15 1.13D-08.
      1 vectors produced by pass 10 Test12= 2.60D-14 2.78D-09 XBig12= 1.73D-15 5.23D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   272 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 8.69D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   43956 ScalPx= 8.69D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   43956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.79D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143571D+03  0.182749D+01 -0.351309D+01
      2   0.182749D+01  0.126122D+03  0.156966D+01
      3  -0.351309D+01  0.156966D+01  0.793237D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.374080D+00  0.966073D+00  0.130440D+01
      2   0.100325D+02 -0.551134D+01  0.144562D+02
      3   0.407347D+00  0.309934D+02  0.507007D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.728877D+02 -0.152626D+02  0.141337D+02
      2   0.368797D+02  0.131051D+01 -0.134200D+02
      3   0.360080D+02  0.139521D+02 -0.713695D+00
      4  -0.270162D+02 -0.318293D+02 -0.105818D+02
      5   0.151015D+02 -0.135225D+02  0.360164D+02
      6  -0.716824D+01 -0.133312D+01  0.201691D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.753503D-01 -0.966620D+00 -0.613177D+00 -0.440335D+01  0.709970D-01
      2  -0.966620D+00 -0.194592D+01 -0.539108D+00  0.709970D-01 -0.225691D+01
      3  -0.613177D+00 -0.539108D+00 -0.132212D+01  0.515831D+00  0.398958D+00
                 6             7             8             9            10 
      1   0.515831D+00 -0.116403D+01 -0.519301D-01 -0.335451D+01 -0.410969D+01
      2   0.398958D+00 -0.519301D-01  0.415485D+00 -0.349575D+01  0.671034D+00
      3  -0.212503D+01 -0.335451D+01 -0.349575D+01  0.153726D+00 -0.558478D+00
                11            12            13            14            15 
      1   0.671034D+00 -0.558478D+00  0.105321D+01  0.183652D+01  0.348009D+00
      2  -0.244305D+01 -0.230713D-01  0.183652D+01  0.225899D+01 -0.313316D+00
      3  -0.230713D-01 -0.221544D+01  0.348009D+00 -0.313316D+00  0.594712D+00
                16            17            18            19            20 
      1  -0.686786D+00  0.569721D+00 -0.492375D+01  0.955572D+00 -0.279253D+01
      2   0.569721D+00  0.215996D+00  0.591395D+00 -0.279253D+01 -0.346595D+01
      3  -0.492375D+01  0.591395D+00  0.122790D+01 -0.338226D+00  0.555433D+00
                21            22            23            24            25 
      1  -0.338226D+00  0.466112D+01 -0.198871D+00 -0.515105D-01  0.578585D-01
      2   0.555433D+00 -0.198871D+00  0.297987D+00 -0.411159D+00  0.916678D+00
      3  -0.538863D+00 -0.515105D-01 -0.411159D+00  0.204068D+01 -0.235713D+01
                26            27            28            29            30 
      1   0.916678D+00 -0.235713D+01  0.683491D+00  0.272865D+01 -0.173512D+00
      2  -0.517393D+00  0.334372D+01  0.272865D+01  0.676702D+01 -0.135061D+00
      3   0.334372D+01  0.125786D+01 -0.173512D+00 -0.135061D+00  0.137839D+01
                31            32            33            34            35 
      1   0.109175D+02  0.403395D+01 -0.815314D+00  0.164744D+01 -0.290687D+00
      2   0.403395D+01  0.608182D+01 -0.398579D+00 -0.290687D+00 -0.252982D+00
      3  -0.815314D+00 -0.398579D+00  0.125758D+01  0.159739D+01  0.279905D+01
                36            37            38            39            40 
      1   0.159739D+01  0.141212D+02 -0.179870D+01 -0.168708D+01 -0.572460D+01
      2   0.279905D+01 -0.179870D+01  0.354249D+01  0.150624D+00 -0.309020D+01
      3  -0.456622D-01 -0.168708D+01  0.150624D+00  0.180293D+01 -0.142169D+00
                41            42            43            44            45 
      1  -0.309020D+01 -0.142169D+00 -0.129512D+01 -0.389701D+00  0.299786D+01
      2  -0.668316D+00  0.518037D+00 -0.389701D+00  0.389067D+00 -0.725342D+00
      3   0.518037D+00  0.241388D+00  0.299786D+01 -0.725342D+00 -0.126258D+01
                46            47            48            49            50 
      1  -0.136926D+01  0.310804D+01  0.261369D+00 -0.519942D+01  0.620855D+00
      2   0.310804D+01  0.178011D+01 -0.433900D+00  0.620855D+00 -0.159053D+01
      3   0.261369D+00 -0.433900D+00  0.767469D+00  0.152119D+00  0.310443D+00
                51            52            53            54            55 
      1   0.152119D+00  0.547594D-01 -0.535855D+00  0.384670D+00 -0.344514D+01
      2   0.310443D+00 -0.535855D+00  0.116950D+00 -0.391023D+01  0.220275D+01
      3  -0.205458D+01  0.384670D+00 -0.391023D+01 -0.122949D+01  0.928497D+00
                56            57            58            59            60 
      1   0.220275D+01  0.928497D+00  0.295590D+01 -0.335953D+01  0.319762D+00
      2  -0.239607D+01  0.985116D-01 -0.335953D+01 -0.224207D+01 -0.158847D+01
      3   0.985116D-01 -0.166932D+01  0.319762D+00 -0.158847D+01  0.556612D+00
                61            62            63            64            65 
      1   0.264860D+01  0.214332D+00 -0.346334D+01 -0.387390D+01 -0.365110D+01
      2   0.214332D+00 -0.224957D+01  0.467061D+00 -0.365110D+01  0.103558D+01
      3  -0.346334D+01  0.467061D+00  0.809740D+01  0.219110D+01  0.709518D+00
                66            67            68            69            70 
      1   0.219110D+01 -0.380541D+01  0.865486D+00  0.864920D+00  0.323204D+01
      2   0.709518D+00  0.865486D+00  0.279593D+01  0.144002D+01  0.150477D+01
      3  -0.146274D+01  0.864920D+00  0.144002D+01  0.387230D+00 -0.236174D+01
                71            72            73            74            75 
      1   0.150477D+01 -0.236174D+01 -0.221115D+01  0.102906D+01 -0.198651D+00
      2   0.167651D+01  0.196366D+00  0.102906D+01 -0.195364D+01  0.837175D+00
      3   0.196366D+00 -0.596314D+01 -0.198651D+00  0.837175D+00  0.260189D-01
                76            77            78            79            80 
      1   0.480154D+00 -0.356747D+01  0.864172D+00  0.423599D+00  0.163881D+01
      2  -0.356747D+01 -0.763811D+01 -0.639456D+00  0.163881D+01 -0.174760D+00
      3   0.864172D+00 -0.639456D+00 -0.347082D+01 -0.141506D+01 -0.593046D+01
                81            82            83            84            85 
      1  -0.141506D+01 -0.578799D+01 -0.430657D+01  0.161614D+00 -0.404615D+01
      2  -0.593046D+01 -0.430657D+01 -0.374200D+01  0.158978D+00 -0.468985D+01
      3   0.330539D+01  0.161614D+00  0.158978D+00 -0.659246D+00 -0.418749D-01
                86            87            88            89            90 
      1  -0.468985D+01 -0.418749D-01  0.328494D+00  0.159289D+00 -0.131724D+00
      2  -0.664617D+01  0.747301D-02  0.159289D+00  0.590035D-02 -0.135044D+00
      3   0.747301D-02 -0.757111D+00 -0.131724D+00 -0.135044D+00 -0.155795D-02
                91            92            93            94            95 
      1  -0.136602D+02  0.138881D+01  0.140059D+01  0.149749D+01 -0.179583D+01
      2   0.138881D+01 -0.904765D+00 -0.154190D+00 -0.179583D+01  0.565403D+00
      3   0.140059D+01 -0.154190D+00 -0.114701D+01 -0.311421D+00  0.209621D+00
                96            97            98            99           100 
      1  -0.311421D+00  0.167082D+01 -0.340565D+00 -0.278593D+00 -0.228697D+01
      2   0.209621D+00 -0.340565D+00  0.197370D+00  0.688346D-01  0.250531D+01
      3   0.197850D+00 -0.278593D+00  0.688346D-01  0.197527D+00  0.357750D+00
               101           102           103           104           105 
      1   0.250531D+01  0.357750D+00  0.238982D+01 -0.370583D+01 -0.373678D+00
      2  -0.264784D+01 -0.389496D+00 -0.370583D+01  0.919435D+01  0.914552D+00
      3  -0.389496D+00 -0.426314D+00 -0.373678D+00  0.914552D+00  0.102234D+01
               106           107           108           109           110 
      1   0.382532D+00 -0.550551D+00 -0.219814D+00  0.130551D+01 -0.172953D+01
      2  -0.550551D+00  0.111117D+01  0.361101D+00 -0.172953D+01  0.188551D+01
      3  -0.219814D+00  0.361101D+00  0.198311D+00 -0.142711D+00  0.287481D+00
               111           112           113           114           115 
      1  -0.142711D+00 -0.135936D+01  0.171354D+01  0.121163D+00 -0.198900D+00
      2   0.287481D+00  0.171354D+01 -0.939977D+01 -0.889528D+00  0.283909D+00
      3   0.243059D+00  0.121163D+00 -0.889528D+00 -0.945037D+00 -0.584698D-02
               116           117           118           119           120 
      1   0.283909D+00 -0.584698D-02  0.248127D+01 -0.613879D+00 -0.201186D+01
      2  -0.908207D+00 -0.214485D+00 -0.613879D+00  0.726395D+00  0.126931D+00
      3  -0.214485D+00 -0.185690D+00 -0.201186D+01  0.126931D+00  0.170765D+01
               121           122           123           124           125 
      1  -0.100298D+01  0.154437D+01  0.156153D+00 -0.507042D+01  0.525583D+00
      2   0.154437D+01 -0.338994D+00 -0.109274D+01  0.525583D+00 -0.111204D+01
      3   0.156153D+00 -0.109274D+01 -0.362087D+00  0.368636D+01 -0.721626D+00
               126           127           128           129           130 
      1   0.368636D+01 -0.770568D+01 -0.742810D+00  0.130392D+01 -0.360987D+01
      2  -0.721626D+00 -0.742810D+00  0.293774D+01 -0.285947D+00  0.316075D+01
      3  -0.926499D+01  0.130392D+01 -0.285947D+00  0.153710D+01 -0.495313D+00
               131           132           133           134           135 
      1   0.316075D+01 -0.495313D+00  0.212484D+01 -0.106349D+01  0.117594D+01
      2   0.286550D+01  0.267883D+01 -0.106349D+01  0.312988D+01  0.650932D+00
      3   0.267883D+01  0.225142D+00  0.117594D+01  0.650932D+00 -0.602209D+01
               136           137           138           139           140 
      1   0.927720D+01  0.331485D+01 -0.184847D+01  0.293133D+01  0.224039D+01
      2   0.331485D+01  0.198272D+01 -0.641041D+00  0.224039D+01  0.178490D+01
      3  -0.184847D+01 -0.641041D+00  0.135886D+01 -0.623998D+00 -0.816989D+00
               141           142           143           144           145 
      1  -0.623998D+00 -0.361586D+01 -0.125033D+01  0.215187D+01  0.160214D+01
      2  -0.816989D+00 -0.125033D+01 -0.131080D+01  0.848832D+00  0.549493D+00
      3   0.499883D+00  0.215187D+01  0.848832D+00 -0.786365D+00  0.136548D+01
               146           147           148           149           150 
      1   0.549493D+00  0.136548D+01  0.191151D+00  0.477343D+00 -0.150992D+00
      2   0.520409D-02  0.126476D+00  0.477343D+00 -0.240360D+00  0.795570D+00
      3   0.126476D+00  0.970910D+00 -0.150992D+00  0.795570D+00 -0.306106D+00
               151           152           153           154           155 
      1   0.214474D+01  0.147012D-01  0.293339D+01  0.997659D+00  0.812422D+00
      2   0.147012D-01  0.137786D+01  0.603989D+00  0.812422D+00  0.203803D+00
      3   0.293339D+01  0.603989D+00  0.732905D+01 -0.108091D+01 -0.310250D+00
               156           157           158           159           160 
      1  -0.108091D+01  0.815748D+00  0.160198D+01 -0.581590D+00 -0.266541D+01
      2  -0.310250D+00  0.160198D+01  0.547386D+01 -0.265089D+01 -0.191091D+01
      3   0.286590D+00 -0.581590D+00 -0.265089D+01  0.229925D+01  0.130580D+01
               161           162           163           164           165 
      1  -0.191091D+01  0.130580D+01 -0.192881D+00  0.780744D+00  0.769869D+00
      2  -0.497567D+01  0.479972D+01  0.780744D+00 -0.745103D+00 -0.193166D+00
      3   0.479972D+01 -0.626180D+01  0.769869D+00 -0.193166D+00 -0.133346D+00
               166           167           168           169           170 
      1   0.128913D+01  0.118647D+01  0.175200D+00  0.106923D+01  0.338050D+00
      2   0.118647D+01  0.885248D+01  0.274363D+01  0.338050D+00  0.455540D+01
      3   0.175200D+00  0.274363D+01  0.207889D+01  0.512084D+00  0.353577D+01
               171           172           173           174           175 
      1   0.512084D+00  0.217649D+00  0.829991D-01  0.751647D+00  0.682063D+00
      2   0.353577D+01  0.829991D-01 -0.745863D+00  0.199845D+00 -0.326455D+00
      3   0.219970D+01  0.751647D+00  0.199845D+00 -0.106453D+01  0.595650D-01
               176           177           178           179           180 
      1  -0.326455D+00  0.595650D-01  0.144531D+01 -0.495285D+00  0.629599D+00
      2  -0.572312D+00  0.749998D+00 -0.495285D+00  0.147577D+01 -0.139582D+01
      3   0.749998D+00 -0.144708D+00  0.629599D+00 -0.139582D+01  0.759372D+01
               181           182           183           184           185 
      1   0.127762D+02 -0.185663D+01 -0.316578D+00  0.568749D+00  0.968257D+00
      2  -0.185663D+01  0.140688D+01 -0.719043D-01  0.968257D+00 -0.385840D+00
      3  -0.316578D+00 -0.719043D-01  0.106323D+01  0.824865D-01 -0.383956D+00
               186           187           188           189           190 
      1   0.824865D-01 -0.138445D+01  0.303424D+00  0.127430D+01  0.149581D+00
      2  -0.383956D+00  0.303424D+00 -0.750774D+00 -0.242361D+00 -0.715808D+00
      3   0.134389D+00  0.127430D+01 -0.242361D+00  0.124375D+00 -0.522182D+00
               191           192           193           194           195 
      1  -0.715808D+00 -0.522182D+00 -0.128224D+01  0.413133D+00 -0.715200D-01
      2  -0.128325D+01 -0.738394D-01  0.413133D+00 -0.819186D+01 -0.158205D+01
      3  -0.738394D-01 -0.503274D+00 -0.715200D-01 -0.158205D+01 -0.137047D+01
               196           197           198 
      1  -0.114928D+01  0.410042D+00 -0.137772D+00
      2   0.410042D+00 -0.241516D+01 -0.149565D+01
      3  -0.137772D+00 -0.149565D+01 -0.661601D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.125885D+01 -0.505520D-01 -0.310106D+01  0.115057D+01 -0.486947D-01
      2   0.478294D+00  0.922343D+00  0.287319D+01 -0.300023D+00 -0.472406D+00
      3  -0.708799D+01 -0.102174D+02 -0.138844D+00  0.850362D+01 -0.335100D+01
                 6             7             8             9            10 
      1  -0.143889D+01 -0.740070D+01  0.366932D+01  0.152303D+01  0.412186D+00
      2   0.523245D+01 -0.256048D+01  0.109102D+02  0.748352D+00  0.169736D+00
      3  -0.694062D-01  0.926144D+00  0.164704D+01 -0.509032D+01  0.365610D+01
                11            12            13            14            15 
      1   0.545324D+00  0.414592D+00  0.113967D+01 -0.987026D+00  0.149760D+01
      2  -0.192511D+00  0.677334D+01 -0.224165D+01 -0.357947D+00 -0.875800D+00
      3  -0.787553D+01 -0.146535D+00  0.108170D+02  0.440898D+01 -0.132793D+01
                16            17            18            19            20 
      1   0.196839D+01  0.114560D+02  0.769426D+00  0.949202D+00 -0.936360D+00
      2   0.747021D+01 -0.300354D+01 -0.246435D+01  0.409123D+00  0.497025D-01
      3   0.139305D+01 -0.205812D+00  0.195910D+01 -0.237046D+01 -0.158840D+02
                21            22            23            24            25 
      1   0.155927D+00 -0.953002D+00  0.163639D+00 -0.201473D+01  0.414348D+01
      2   0.167449D+00  0.963404D+00  0.158048D+01 -0.527062D+01 -0.874016D+01
      3  -0.532607D+00  0.649800D+00  0.150998D-01 -0.504834D+00  0.436210D+00
                26            27            28            29            30 
      1   0.272844D+01 -0.167713D+00 -0.151397D+01  0.181128D+01 -0.809209D+00
      2  -0.933793D+01 -0.919748D+00 -0.277860D+01 -0.148391D+01 -0.101489D+01
      3   0.952167D+00  0.553493D+01 -0.376499D+01  0.448521D+01  0.153843D+01
                31            32            33            34            35 
      1   0.182653D+01  0.523697D+00 -0.958423D+00 -0.279236D+01  0.641450D+01
      2   0.174001D+01 -0.161524D+01 -0.152668D+01 -0.143952D+02 -0.156216D+01
      3   0.970773D+01  0.204428D+02 -0.128281D+01  0.292833D+01 -0.162376D+01
                36            37            38            39            40 
      1   0.407880D+00  0.428284D+00  0.137157D+01  0.114816D+01  0.208121D+01
      2   0.139643D+01 -0.164519D+01 -0.759992D+00 -0.920318D+00 -0.101400D+01
      3   0.320577D+01 -0.796039D+01  0.105092D+02  0.127246D+01  0.981680D+01
                41            42            43            44            45 
      1  -0.229886D+00 -0.208308D+00  0.365250D+01  0.983153D+01 -0.428431D-01
      2   0.565766D+00  0.575536D+00 -0.124967D+02  0.554146D+00  0.834343D+00
      3  -0.624005D+01 -0.159338D+01 -0.789340D+00 -0.514697D+01 -0.233815D+01
                46            47            48            49            50 
      1   0.671190D+00 -0.553274D+00  0.261074D+01 -0.275335D+00 -0.994264D+00
      2  -0.257428D+01  0.181334D+01 -0.173918D+01 -0.509471D-01  0.439554D+00
      3   0.103978D+02 -0.518031D+01 -0.244424D+01  0.727999D+01 -0.603338D+01
                51            52            53            54            55 
      1  -0.314405D+01  0.389957D+01  0.957884D+00 -0.176412D+01 -0.983550D+00
      2   0.229725D+01 -0.136690D+02  0.170876D+01  0.244929D+01 -0.194389D+00
      3   0.171300D-01 -0.379106D+01  0.141094D+01 -0.533523D+01 -0.274643D+01
                56            57            58            59            60 
      1   0.193988D+01 -0.925068D+00  0.293542D+01 -0.950067D+00 -0.154614D+01
      2   0.652186D+00 -0.281253D+00  0.140766D+01 -0.571575D+01  0.874908D+00
      3  -0.280305D+01 -0.942893D+00  0.122508D+02  0.810027D+01  0.446872D+01
                61            62            63            64            65 
      1  -0.364587D+01  0.641906D+01  0.313600D+01 -0.328317D+01 -0.118728D+01
      2  -0.108124D+02  0.118688D+01  0.125381D+02  0.691743D+01  0.340144D+01
      3  -0.328038D+01  0.705056D+01  0.203796D+01  0.852721D+01 -0.131948D+02
                66            67            68            69            70 
      1   0.186213D+01 -0.197899D+01 -0.338904D+01 -0.271776D+01  0.386415D+01
      2  -0.171819D+01  0.380771D+01  0.355939D+01  0.435187D+00 -0.114543D+02
      3   0.152609D+01 -0.821699D+01 -0.603554D+01 -0.348332D+01  0.812891D+00
                71            72            73            74            75 
      1   0.210143D+01  0.612286D+01  0.573481D+00 -0.248438D+01 -0.495572D+00
      2  -0.119676D+01 -0.121173D+02 -0.140386D+01  0.896949D+00  0.211484D+01
      3  -0.445884D+01 -0.335900D+01 -0.780993D+01  0.798185D+00 -0.156662D+01
                76            77            78            79            80 
      1  -0.856165D+00  0.475924D+01  0.651604D+01  0.526676D+01  0.213310D+02
      2   0.231098D+00  0.258361D-01 -0.247846D+01 -0.536489D+01 -0.529205D+01
      3   0.136073D+02 -0.473605D+01  0.404803D+01 -0.740794D+00  0.750975D+01
                81            82            83            84            85 
      1  -0.632340D+01  0.308083D+00  0.368604D+00 -0.247698D+01 -0.125576D+00
      2   0.263071D+01 -0.599337D+00 -0.666882D+00  0.320777D+01  0.616273D-02
      3   0.141865D+01 -0.136316D+01 -0.465384D+01  0.286869D+00 -0.359055D+01
                86            87            88            89            90 
      1  -0.351381D-01 -0.319297D+01  0.970297D+00  0.143142D+01  0.780452D-01
      2  -0.198961D+00  0.330273D+01 -0.894226D+00 -0.802974D+00 -0.911762D-01
      3  -0.107031D+02  0.126290D+00 -0.299016D+00 -0.640715D+00  0.944311D-01
                91            92            93            94            95 
      1   0.245822D-01 -0.427328D+00  0.581232D+00 -0.197145D+00  0.131134D+00
      2  -0.197332D+01  0.237480D+00  0.649461D+01  0.924148D+00 -0.476721D+00
      3   0.245846D+01 -0.536093D+01 -0.300536D+00 -0.435514D+01  0.189281D+01
                96            97            98            99           100 
      1  -0.351466D+00 -0.532838D+00  0.396475D+00 -0.107180D+00 -0.710531D-01
      2  -0.102050D+01 -0.227857D+01  0.369133D+00 -0.604327D+00 -0.392248D+00
      3   0.587497D+00 -0.635284D+00  0.654623D+00 -0.499146D-02  0.993331D+00
               101           102           103           104           105 
      1   0.257561D+00  0.153856D+01  0.269333D-02  0.528504D+00 -0.429362D+01
      2   0.578150D+00  0.134653D+01  0.302540D+00 -0.166812D+01 -0.292662D+01
      3  -0.236918D+01 -0.393012D+00 -0.103819D+01  0.150483D+02  0.146910D+01
               106           107           108           109           110 
      1  -0.264361D+00  0.144724D+01 -0.361590D+00  0.246944D+00 -0.308425D-02
      2  -0.660500D+00  0.164798D+00 -0.435796D+00  0.656722D+00 -0.662587D+00
      3  -0.338739D+00  0.125524D+01 -0.542495D-01 -0.679699D+01  0.556398D+01
               111           112           113           114           115 
      1   0.133580D+01 -0.322389D+00  0.804081D+00 -0.427479D+01 -0.446201D+00
      2   0.166152D+00 -0.819157D+00  0.979154D+00 -0.160667D+00 -0.113720D+01
      3   0.513624D+00  0.808636D+01 -0.121911D+02 -0.107367D+01  0.102200D+01
               116           117           118           119           120 
      1   0.171036D+01 -0.251850D+00 -0.695510D+00 -0.139191D+01  0.754043D+00
      2   0.429023D+00 -0.746262D-01 -0.136704D+01 -0.203343D-01  0.307227D+01
      3  -0.188463D+01 -0.199383D-01 -0.548519D+00 -0.333099D+01  0.114695D+01
               121           122           123           124           125 
      1  -0.128924D+01 -0.578532D+00 -0.651736D+00  0.990390D+00  0.259594D+01
      2   0.312374D+00 -0.441897D+00 -0.928512D+00  0.165473D+01 -0.670881D+00
      3  -0.234307D+01 -0.808540D+00  0.232798D+01  0.174354D+01  0.216538D+01
               126           127           128           129           130 
      1  -0.373424D+01  0.249191D+01  0.137867D+00  0.282480D+01 -0.216232D+01
      2  -0.146903D+02  0.753662D+01 -0.193126D+01  0.573317D+01 -0.245315D+01
      3  -0.163337D+00  0.205016D+02 -0.121671D+02 -0.149705D+01 -0.191837D+01
               131           132           133           134           135 
      1   0.881795D+01 -0.566017D+00  0.307232D+00  0.480106D+01 -0.100945D+02
      2   0.669163D+01  0.586886D+00 -0.415621D+00  0.270541D+01 -0.156646D+02
      3  -0.172601D+02 -0.767086D+01 -0.103226D+01 -0.767388D+01 -0.433088D+01
               136           137           138           139           140 
      1   0.245178D+01  0.556067D+00 -0.241929D+01  0.740451D+00  0.804266D+00
      2  -0.489874D+01 -0.187020D+01  0.567339D+01 -0.178095D+01 -0.196664D+01
      3   0.480365D+01 -0.374587D+01 -0.102233D+01  0.264635D+00 -0.226611D+01
               141           142           143           144           145 
      1  -0.153623D+01 -0.270019D+01  0.770960D-01  0.117386D+01 -0.134362D+01
      2   0.186280D+01  0.406504D+01  0.190171D+01 -0.265712D+01  0.210701D+01
      3   0.138927D+01 -0.212720D+01  0.295652D+01  0.841327D+00 -0.668048D-01
               146           147           148           149           150 
      1   0.171319D+00 -0.144412D+01  0.426502D+00 -0.152637D+01 -0.131296D+00
      2  -0.187013D+00  0.304737D+01 -0.516232D+00  0.138649D+01 -0.516632D+00
      3  -0.182339D+00  0.156653D+01  0.152765D+01  0.241437D+01 -0.210607D+01
               151           152           153           154           155 
      1  -0.357616D+01  0.252754D+01 -0.878923D+01  0.225493D+01  0.219816D+00
      2   0.310658D+01  0.144464D+01  0.161559D+02  0.276840D+00 -0.619236D-01
      3   0.346034D+01 -0.492773D+01  0.208001D+01  0.344056D+01  0.463166D+00
               156           157           158           159           160 
      1  -0.605794D+00  0.120867D+01  0.378216D+01 -0.629045D+01 -0.291126D+01
      2   0.958523D+00  0.142967D+00 -0.186415D+01  0.195138D+01 -0.862294D+00
      3  -0.262094D+01  0.151130D+01 -0.104601D+01  0.809892D+00 -0.599553D+01
               161           162           163           164           165 
      1  -0.834030D+01  0.140848D+02 -0.136215D+01  0.581627D+00  0.481018D+00
      2   0.359456D+01 -0.483571D+01  0.371410D+00 -0.440666D+00  0.721026D+00
      3  -0.340653D+00 -0.105925D+01 -0.118574D+01  0.170042D+00  0.205117D+01
               166           167           168           169           170 
      1  -0.126349D+01 -0.750525D+01 -0.732665D+01 -0.141923D+01 -0.773788D+01
      2  -0.487932D+00  0.220525D+01  0.160650D+01 -0.786699D+00  0.243190D+01
      3   0.449376D+01 -0.519086D+01 -0.242909D+01  0.422925D+01 -0.379077D+01
               171           172           173           174           175 
      1  -0.664950D+01  0.115939D+01 -0.626688D+00 -0.169580D+01 -0.241591D+00
      2   0.147212D+01  0.262882D+01  0.370351D+00 -0.216889D+01 -0.849393D-02
      3  -0.231805D+01 -0.299870D+00  0.156467D+01 -0.178049D+01  0.121060D+01
               176           177           178           179           180 
      1   0.122130D+01 -0.990164D+00  0.359026D+00  0.121068D+01  0.134853D+02
      2   0.184722D+01 -0.580711D+00 -0.234343D+01 -0.302781D+01  0.191921D+02
      3   0.182770D+01 -0.184495D+01 -0.165284D+01 -0.336350D+01  0.349453D+01
               181           182           183           184           185 
      1  -0.280233D+00  0.182098D+00  0.196167D+01  0.364659D+00 -0.727843D+00
      2  -0.410896D+01  0.269799D-01  0.576720D+01  0.201311D+00 -0.116300D+01
      3  -0.178796D+02 -0.437534D+01  0.982595D+00 -0.193478D+01 -0.505560D+00
               186           187           188           189           190 
      1  -0.445295D+00  0.167603D+01  0.324947D+00  0.259426D+00 -0.117986D+01
      2   0.540903D+00  0.223622D+01 -0.357473D+00  0.213725D+00 -0.137370D+01
      3   0.124770D+01  0.137779D+01  0.199533D+01 -0.124618D+01  0.418753D+01
               191           192           193           194           195 
      1  -0.482158D+00 -0.169578D+01 -0.453470D+00 -0.535038D+01 -0.560459D+01
      2   0.114895D+00 -0.604163D+00 -0.366865D+00 -0.333995D+01 -0.298134D+01
      3   0.472803D+01  0.171279D+01  0.547188D+01  0.231318D+02  0.514269D+01
               196           197           198 
      1  -0.494087D+00 -0.229562D+01 -0.196588D+01
      2  -0.146319D+01 -0.306444D+01 -0.132389D+01
      3   0.235289D+01  0.645972D+01  0.465289D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.277894D+00 -0.227661D+02 -0.134294D+01  0.257478D+02  0.666709D+01
      2  -0.388176D+01  0.166416D+02 -0.177224D+00 -0.259792D+02 -0.120927D+02
      3   0.415966D+01  0.612443D+01  0.152016D+01  0.231390D+00  0.542559D+01
      4  -0.230269D+02  0.487241D+01  0.490051D+01  0.681808D+01 -0.146126D+02
      5   0.156087D+01  0.532648D+01  0.671023D+01 -0.967670D+00 -0.299497D+01
      6   0.496971D+01  0.217269D+01  0.640392D+01 -0.338384D+01  0.442155D+00
                 6             7             8             9            10 
      1   0.225055D+00  0.636032D+01  0.597350D+01  0.210962D+01 -0.141627D+02
      2   0.882563D+00 -0.471325D+01 -0.494995D+01 -0.809687D+01  0.847461D+01
      3  -0.110762D+01 -0.164707D+01 -0.102355D+01  0.598724D+01  0.568805D+01
      4  -0.382390D+01  0.467832D+01 -0.259584D+01  0.151518D+02  0.514551D+01
      5   0.112597D+02  0.217598D+02  0.174903D+02  0.154096D+01  0.939964D+01
      6   0.430574D+01  0.102243D+02  0.140876D+02 -0.233802D+01 -0.353709D+00
                11            12            13            14            15 
      1   0.222110D+01  0.633949D+01 -0.125915D+02 -0.250374D+02 -0.244976D+01
      2  -0.249134D+00 -0.382510D+01  0.109618D+02  0.246370D+02  0.317846D+01
      3  -0.197197D+01 -0.251439D+01  0.162969D+01  0.400377D+00 -0.728695D+00
      4   0.214712D+02 -0.456827D+00 -0.261768D+02  0.877171D+01  0.366605D+01
      5  -0.971427D+00  0.141619D+02 -0.482975D+01  0.306356D+01 -0.229083D+01
      6  -0.110796D+01 -0.972770D+00  0.351822D+01 -0.753883D+00 -0.360613D+01
                16            17            18            19            20 
      1   0.965988D+01 -0.382733D+01  0.134938D+02  0.151382D+02  0.221514D+02
      2  -0.354427D+01  0.281976D+01 -0.194018D+02 -0.146932D+02 -0.163783D+02
      3  -0.611561D+01  0.100756D+01  0.590795D+01 -0.444932D+00 -0.577310D+01
      4  -0.606350D+01 -0.712765D+00 -0.142348D+01  0.129087D+02 -0.134802D+02
      5   0.342863D+02 -0.336518D+01 -0.523488D+01  0.115061D+01 -0.481055D+01
      6  -0.143466D+00  0.355811D+01 -0.137004D+01 -0.323777D+01  0.478858D+01
                21            22            23            24            25 
      1  -0.430256D+00 -0.197303D+02  0.133742D+02  0.139364D+01  0.833701D-01
      2   0.377184D+00  0.184201D+02 -0.212344D+02 -0.353367D+01  0.225964D+01
      3   0.530713D-01  0.131020D+01  0.786014D+01  0.214003D+01 -0.234301D+01
      4  -0.450813D+01  0.808762D+01  0.454694D+01  0.185721D+01 -0.466121D+01
      5  -0.595518D+00 -0.507697D+00  0.220174D+01 -0.100297D+02  0.113580D+02
      6  -0.131918D+01  0.119579D+01 -0.466409D+01  0.493557D+01 -0.748866D+01
                26            27            28            29            30 
      1  -0.254359D+01 -0.350910D+01 -0.108348D+02 -0.274599D+02 -0.856318D+00
      2  -0.225716D+01 -0.509436D+01  0.936451D+01  0.219174D+02 -0.150046D+01
      3   0.480075D+01  0.860346D+01  0.147024D+01  0.554253D+01  0.235678D+01
      4   0.625192D+01 -0.154807D+02 -0.111405D+02 -0.609569D+01  0.280000D+00
      5  -0.153551D+02 -0.214762D+01 -0.995542D+00  0.570237D+00 -0.119943D+01
      6   0.133939D+02  0.203737D+01  0.365593D+00 -0.305870D+01  0.212095D+01
                31            32            33            34            35 
      1  -0.103100D+02 -0.700593D+01  0.385177D-01  0.113296D+01  0.128590D+01
      2  -0.345777D+00  0.603020D+01  0.541162D+00 -0.272262D+01 -0.110298D+01
      3   0.106557D+02  0.975732D+00 -0.579679D+00  0.158966D+01 -0.182925D+00
      4   0.780735D+01 -0.100751D+02 -0.196056D+01 -0.235972D+00  0.142408D+01
      5  -0.194373D+01 -0.193130D+01 -0.838741D+00  0.127842D+01 -0.241065D+01
      6  -0.690706D+01 -0.152094D+01  0.269905D+01  0.249693D+01  0.927445D+01
                36            37            38            39            40 
      1  -0.124580D+02 -0.243551D+02  0.415378D+01 -0.920340D-01 -0.365956D+01
      2   0.120114D+01  0.895070D+01 -0.995464D+00  0.178860D+00  0.619262D+01
      3   0.112569D+02  0.154044D+02 -0.315831D+01 -0.868261D-01 -0.253306D+01
      4  -0.148936D+01 -0.678334D+01  0.650481D+01  0.953911D+00 -0.135346D+02
      5   0.215292D+01 -0.582978D+01  0.528461D-01  0.656460D+00 -0.341438D-01
      6  -0.105251D+01  0.882765D+00 -0.149357D+01 -0.157648D+01  0.520955D+01
                41            42            43            44            45 
      1  -0.557428D+01  0.332321D+00  0.413520D+01 -0.199880D+01 -0.928248D+01
      2   0.124359D+02  0.139948D+01 -0.951031D+00  0.243859D+01 -0.360501D+01
      3  -0.686164D+01 -0.173180D+01 -0.318417D+01 -0.439786D+00  0.128875D+02
      4   0.757018D+01  0.354824D+01 -0.179182D+01  0.364393D+01 -0.159717D+01
      5   0.268719D+01  0.106318D+00  0.279125D+01  0.756493D+00  0.185837D+00
      6   0.100185D+01 -0.124878D+01 -0.136112D+01  0.333461D+01 -0.126794D-01
                46            47            48            49            50 
      1   0.767317D+01  0.103814D+02 -0.126392D+01  0.397537D+01  0.907043D+01
      2  -0.595852D+01 -0.107421D+02  0.110256D+01  0.469547D+01 -0.158704D+02
      3  -0.171465D+01  0.360707D+00  0.161361D+00 -0.867084D+01  0.679997D+01
      4   0.140501D+02 -0.191339D+02 -0.222496D+01  0.159021D+02  0.112889D+02
      5   0.194793D+00 -0.224933D+01 -0.421915D+01  0.133293D+01  0.233157D+00
      6  -0.416288D+01  0.266360D+01 -0.454096D+01  0.157309D+00 -0.456440D+01
                51            52            53            54            55 
      1   0.190812D+01 -0.165961D+01  0.433880D+00 -0.158336D+02  0.168073D+02
      2  -0.341071D+01  0.264721D+01 -0.377568D+01  0.449824D+01 -0.540228D+01
      3   0.150259D+01 -0.987597D+00  0.334180D+01  0.113354D+02 -0.114051D+02
      4   0.835230D-02  0.185735D+01  0.431184D+01  0.653165D+01  0.881972D+01
      5   0.262597D+01  0.145169D+01  0.654015D+01  0.485355D+01  0.374181D+01
      6   0.685256D+01 -0.258504D+01  0.179983D+02  0.471362D+01 -0.598300D+00
                56            57            58            59            60 
      1   0.965943D+00 -0.167886D+01  0.494903D+01 -0.783637D+01  0.134418D+01
      2   0.154955D+01 -0.321264D+01 -0.343985D+00  0.730701D+00  0.108697D+01
      3  -0.251549D+01  0.489150D+01 -0.460505D+01  0.710567D+01 -0.243115D+01
      4  -0.110827D+02  0.593594D-01 -0.208800D+02 -0.688660D+01 -0.786735D+01
      5   0.846245D+00 -0.827550D+01  0.192795D+01 -0.760054D+01  0.305413D+01
      6  -0.322869D+01  0.252514D+01 -0.516957D+01  0.292490D+01 -0.188112D+01
                61            62            63            64            65 
      1  -0.101797D+02  0.185376D+01  0.485258D+01 -0.155834D+02 -0.177739D+02
      2  -0.970179D+01  0.319801D+01  0.118046D+02  0.150186D+01  0.964272D+01
      3   0.198815D+02 -0.505176D+01 -0.166572D+02  0.140815D+02  0.813117D+01
      4   0.104569D+01 -0.122985D+02  0.525557D+01 -0.215593D+02 -0.656816D+01
      5  -0.157610D+02  0.325739D+01  0.338419D+02  0.145352D+02  0.533748D+01
      6   0.598543D+01 -0.880845D+00 -0.795419D+01  0.636182D+01  0.300207D+01
                66            67            68            69            70 
      1   0.940061D+01 -0.200827D+02  0.106026D+01  0.175162D+01  0.145134D+02
      2  -0.172526D+01  0.111743D+02  0.176092D+01  0.774196D+00 -0.976631D-01
      3  -0.767535D+01  0.890847D+01 -0.282118D+01 -0.252581D+01 -0.144157D+02
      4   0.676019D+01 -0.351632D+01  0.132874D+02  0.721452D+01  0.125480D+02
      5  -0.781247D+01  0.627606D+01  0.599270D+01  0.829108D+00 -0.135119D+02
      6  -0.359236D+01  0.422460D+01  0.557972D+01  0.186452D+01 -0.639460D+01
                71            72            73            74            75 
      1   0.664419D+01 -0.827130D+01 -0.621299D+01  0.104029D+02 -0.420538D+01
      2  -0.172055D+01  0.153978D+02  0.958305D+01 -0.585847D+01  0.430842D+01
      3  -0.492364D+01 -0.712651D+01 -0.337006D+01 -0.454440D+01 -0.103033D+00
      4   0.931024D+01 -0.624958D+01  0.467047D+01  0.551997D+01 -0.287521D-01
      5  -0.199241D+01 -0.265257D+02 -0.176724D+01  0.888819D+00 -0.866995D+00
      6   0.287813D+01 -0.101706D+02  0.814439D+00  0.564383D+01  0.166562D+00
                76            77            78            79            80 
      1   0.214066D+02  0.278032D+02  0.780598D+00 -0.887584D+01 -0.136328D+01
      2  -0.167881D+02 -0.297851D+02 -0.768983D+01  0.604384D+01 -0.863443D+01
      3  -0.461852D+01  0.198186D+01  0.690924D+01  0.283200D+01  0.999771D+01
      4   0.205056D+01 -0.586700D+01 -0.155665D+00  0.156148D+00  0.174435D+01
      5   0.179288D+01  0.498607D+00 -0.619058D+01 -0.168902D+01 -0.906999D+01
      6   0.463268D+01 -0.599607D+01 -0.205316D+02 -0.979100D+01 -0.376714D+02
                81            82            83            84            85 
      1   0.268771D+02  0.257360D+02  0.156893D+02 -0.194180D+00  0.101182D+02
      2  -0.250812D+02 -0.490279D+01  0.899039D+00  0.598498D-01  0.729417D+01
      3  -0.179589D+01 -0.208332D+02 -0.165884D+02  0.134330D+00 -0.174124D+02
      4  -0.692760D+01  0.382389D+02  0.337117D+02 -0.933715D+00  0.369374D+02
      5   0.716979D+01 -0.225215D+00 -0.486734D+00  0.604776D+01  0.799279D+00
      6   0.159681D+02 -0.106373D+01 -0.110020D+01  0.358897D+01 -0.265296D+00
                86            87            88            89            90 
      1   0.439408D+01  0.232763D+00 -0.159948D+01 -0.120967D+01  0.412622D+00
      2   0.173571D+02 -0.387938D+00  0.905732D+00  0.838687D+00  0.111443D+01
      3  -0.217512D+02  0.155175D+00  0.693749D+00  0.370980D+00 -0.152705D+01
      4   0.459638D+02 -0.726060D-01 -0.137108D+01 -0.559726D+00  0.317973D+01
      5   0.786982D+00  0.522066D+01  0.230592D+01  0.167769D+01 -0.353206D+00
      6  -0.621123D+00  0.546250D+01  0.169866D+01  0.246938D+01 -0.110734D+00
                91            92            93            94            95 
      1   0.101371D+03 -0.986425D+01 -0.864636D+01 -0.968999D+01  0.103241D+02
      2  -0.593306D+02  0.535467D+01  0.619591D+01  0.477946D+01 -0.507044D+01
      3  -0.420406D+02  0.450958D+01  0.245045D+01  0.491054D+01 -0.525369D+01
      4  -0.142343D+02  0.979309D+01  0.128846D+01  0.166719D+02 -0.488128D+01
      5  -0.127333D+02  0.129879D+01  0.117561D+02  0.255577D+01 -0.170706D+01
      6   0.174316D+00 -0.664135D+00 -0.698060D+00 -0.122055D+01  0.295945D+00
                96            97            98            99           100 
      1   0.146770D+01 -0.113751D+02  0.163237D+01  0.443586D+01  0.592476D+01
      2  -0.107112D+01  0.712528D+01 -0.943539D+00 -0.277327D+01  0.216517D+01
      3  -0.396589D+00  0.424977D+01 -0.688828D+00 -0.166259D+01 -0.808993D+01
      4  -0.176996D+01  0.285685D+01 -0.138069D+01 -0.127018D+01 -0.181926D+02
      5  -0.156518D+01  0.496948D+01 -0.544402D+00 -0.264859D+01 -0.204034D+01
      6   0.162784D+01 -0.519235D+00  0.919268D+00  0.487384D+00  0.178976D+01
               101           102           103           104           105 
      1  -0.477609D+01 -0.551485D+00  0.554452D-01 -0.143292D+02 -0.163347D+01
      2  -0.385847D+01  0.488415D-01 -0.989650D+01  0.344437D+02  0.226027D+01
      3   0.863456D+01  0.502644D+00  0.984105D+01 -0.201145D+02 -0.626800D+00
      4   0.213422D+02  0.269646D+01  0.246494D+02 -0.466266D+02 -0.443964D+01
      5   0.235052D+01  0.343070D+01  0.207839D+01 -0.336231D+01 -0.508062D+01
      6  -0.211978D+01 -0.239267D+01 -0.242596D+01  0.605153D+01  0.740610D+01
               106           107           108           109           110 
      1  -0.651495D+00 -0.897144D+00 -0.180252D+01 -0.453055D+01  0.787445D+01
      2  -0.601931D+00  0.260181D+01  0.284700D+01  0.668265D+01 -0.966871D+01
      3   0.125343D+01 -0.170467D+01 -0.104448D+01 -0.215210D+01  0.179426D+01
      4   0.395363D+01 -0.557903D+01 -0.268298D+01 -0.338616D+01  0.782717D+01
      5   0.170831D+01 -0.185818D+01 -0.131306D+01  0.347140D+00  0.205804D-01
      6  -0.179496D+01  0.406258D+01  0.167954D+01  0.119101D+01 -0.215063D+01
               111           112           113           114           115 
      1   0.144312D+01  0.626852D+01 -0.364773D+02 -0.383971D+01  0.114374D+01
      2  -0.943586D+00 -0.822876D+01  0.510134D+02  0.379904D+01 -0.135474D+01
      3  -0.499531D+00  0.196025D+01 -0.145361D+02  0.406683D-01  0.211001D+00
      4   0.339794D+00  0.600476D+01  0.318497D+01  0.554428D+00  0.290415D+00
      5   0.849874D+00  0.468735D-01  0.180049D+01  0.638550D+00  0.517978D+00
      6  -0.183505D+01 -0.109355D+01  0.728158D+01  0.765712D+01 -0.558581D+00
               116           117           118           119           120 
      1  -0.359039D+01 -0.206206D+01  0.411073D+01 -0.736161D+00 -0.422920D+01
      2   0.417420D+01  0.253156D+01 -0.764081D+01  0.274763D+00  0.592620D+01
      3  -0.583808D+00 -0.469495D+00  0.353007D+01  0.461397D+00 -0.169700D+01
      4  -0.415118D+00 -0.146725D+01 -0.371702D+01  0.656738D+01  0.177681D+01
      5  -0.503546D+00 -0.422479D+00 -0.109651D+02  0.114945D+01  0.138452D+02
      6   0.353732D+01  0.162524D+01  0.211648D+01 -0.777333D-01 -0.158817D+01
               121           122           123           124           125 
      1  -0.435727D+00 -0.150368D+01 -0.492197D+00 -0.121992D+01 -0.972904D+00
      2  -0.416628D+00 -0.106890D+01  0.293744D+00  0.123269D+02 -0.120164D+01
      3   0.852355D+00  0.257258D+01  0.198452D+00 -0.111069D+02  0.217454D+01
      4   0.940279D+01 -0.263654D+01 -0.453705D+01  0.422524D+01 -0.536461D+01
      5   0.588946D+00 -0.450078D+01 -0.146468D+01  0.217229D+02 -0.368217D+01
      6  -0.169658D+01  0.136191D+01  0.734260D+01 -0.395803D+01  0.510381D+01
               126           127           128           129           130 
      1  -0.128516D+02 -0.589094D+02  0.886730D+01  0.453740D+01 -0.284536D+01
      2  -0.222890D+02  0.336326D+02 -0.126834D+02 -0.462860D+01 -0.435463D+01
      3   0.351406D+02  0.252768D+02  0.381607D+01  0.911989D-01  0.719999D+01
      4  -0.360812D+01  0.140431D+02  0.137916D+02 -0.319532D+01  0.204539D+02
      5  -0.381575D+02  0.458498D+01 -0.118580D+01  0.765224D+01 -0.364254D+01
      6   0.919050D+01 -0.647279D+01  0.208517D+01 -0.523599D+01  0.377485D+01
               131           132           133           134           135 
      1   0.237161D+02  0.528428D+01  0.909391D+01  0.321585D+01  0.158433D+02
      2  -0.266360D+02 -0.110250D+02 -0.201329D+01 -0.124066D+02  0.141061D-01
      3   0.291985D+01  0.574071D+01 -0.708062D+01  0.919076D+01 -0.158574D+02
      4   0.407553D+01  0.121567D+02 -0.891939D+01  0.143347D+02 -0.297219D+01
      5   0.144908D+02  0.965506D+00  0.727727D+01  0.188084D+01 -0.253006D+02
      6  -0.127113D+02 -0.347319D+00 -0.420387D+01 -0.142178D+01  0.172800D+02
               136           137           138           139           140 
      1   0.499396D+02  0.142739D+02 -0.957132D+01  0.112956D+02  0.616013D+01
      2  -0.224038D+02 -0.340771D+01  0.443608D+01 -0.120661D+01  0.256156D+01
      3  -0.275358D+02 -0.108662D+02  0.513524D+01 -0.100890D+02 -0.872169D+01
      4   0.352123D+02  0.201508D+02 -0.692145D+01  0.204359D+02  0.146186D+02
      5  -0.141782D+02 -0.451764D+01  0.106595D+02 -0.434077D+01 -0.524875D+01
      6  -0.595367D+01 -0.297748D+01  0.441659D+01 -0.309189D+01 -0.324583D+01
               141           142           143           144           145 
      1  -0.154990D+01 -0.148421D+02 -0.300691D+01  0.732059D+01  0.725789D+01
      2  -0.675528D+00  0.765462D+01 -0.499465D-01 -0.609398D+01 -0.647416D+01
      3   0.222543D+01  0.718749D+01  0.305685D+01 -0.122661D+01 -0.783729D+00
      4  -0.574912D+01 -0.117779D+02 -0.920831D+01  0.807918D+01  0.544403D+01
      5   0.342481D+01  0.151776D+02  0.573812D+01 -0.696369D+01  0.821068D+01
      6   0.320970D+01  0.694659D+01  0.390856D+01 -0.345108D+01  0.250410D+01
               146           147           148           149           150 
      1   0.341601D+01  0.499418D+01  0.593737D+00 -0.101819D+01 -0.172893D+01
      2  -0.201066D+01 -0.498780D+01  0.107804D+01 -0.132771D+01  0.247796D+01
      3  -0.140535D+01 -0.638180D-02 -0.167178D+01  0.234591D+01 -0.749025D+00
      4   0.271184D+01  0.224831D+01  0.396511D+01 -0.108248D+01  0.400987D+01
      5   0.525855D+00  0.955900D+01 -0.124639D+01  0.397306D+01 -0.167707D+01
      6   0.918635D+00  0.194192D+01  0.115567D+01  0.134219D+01  0.474341D+01
               151           152           153           154           155 
      1   0.749891D+01 -0.227021D+01 -0.164000D+01  0.140182D+00  0.747373D+00
      2  -0.109616D+02  0.184224D+01 -0.186621D+02 -0.960802D+00 -0.479395D+00
      3   0.346272D+01  0.427967D+00  0.203021D+02  0.820620D+00 -0.267978D+00
      4   0.427163D+01  0.710528D+01  0.664027D+01  0.303335D+01  0.658815D+01
      5   0.184213D+02  0.340733D+01  0.347194D+02 -0.234085D+01 -0.350378D+01
      6   0.638516D+01  0.478653D+01  0.154242D+02 -0.652561D+01 -0.174893D+01
               156           157           158           159           160 
      1  -0.860111D+00 -0.473118D+01 -0.232508D+02  0.114262D+02  0.390034D+01
      2   0.105242D+00  0.581514D+01  0.266173D+02 -0.109064D+02 -0.287233D+01
      3   0.754870D+00 -0.108397D+01 -0.336654D+01 -0.519821D+00 -0.102801D+01
      4  -0.549686D+01  0.495671D+01  0.823015D+01 -0.419546D+01 -0.882509D+01
      5   0.568649D+01 -0.212789D+01 -0.475064D+01  0.409015D+01  0.648472D+01
      6   0.139467D+01 -0.409501D+01 -0.181984D+02  0.174395D+02  0.853270D+01
               161           162           163           164           165 
      1   0.216530D+02 -0.251157D+02 -0.686305D+00  0.411331D+01  0.241580D+01
      2  -0.172177D+02  0.119157D+02  0.286098D+01 -0.453352D+01 -0.185158D+01
      3  -0.443530D+01  0.132000D+02 -0.217468D+01  0.420210D+00 -0.564215D+00
      4  -0.851290D+01  0.685115D+01  0.109083D+01  0.773935D+01  0.378186D+01
      5   0.902301D+01 -0.108892D+02  0.109692D+01  0.173835D+01  0.256652D+01
      6   0.314811D+02 -0.344119D+02  0.494070D+01 -0.133088D+01 -0.847603D+00
               166           167           168           169           170 
      1  -0.274926D+01 -0.355511D+02 -0.112106D+02  0.426177D+00 -0.188710D+02
      2   0.444111D+01  0.514433D+02  0.158191D+02  0.118275D+01  0.246062D+02
      3  -0.169185D+01 -0.158922D+02 -0.460846D+01 -0.160892D+01 -0.573523D+01
      4   0.682062D+01  0.103657D+02  0.303271D+01  0.539362D+01  0.537947D+01
      5   0.159654D+01  0.361776D+01  0.305771D+01  0.327589D+01  0.517767D+01
      6   0.164396D+01  0.214980D+02  0.157652D+02  0.370815D+01  0.249306D+02
               171           172           173           174           175 
      1  -0.160138D+02  0.340445D+01 -0.248686D+01  0.601824D+01  0.124396D+01
      2   0.147583D+02 -0.405553D+01  0.302773D+01 -0.136101D+01 -0.674979D+00
      3   0.125548D+01  0.651074D+00 -0.540862D+00 -0.465723D+01 -0.568986D+00
      4   0.412925D+01 -0.310143D+00 -0.210323D+01 -0.206853D+01 -0.101310D+01
      5   0.243136D+01  0.253239D+01  0.327767D-01  0.140050D-01  0.468141D+00
      6   0.153210D+02 -0.205525D+01 -0.151829D+01  0.323006D+01  0.102000D+00
               176           177           178           179           180 
      1  -0.631033D+01  0.249266D+01  0.607470D+01  0.371983D+01 -0.179642D+02
      2   0.415634D+01 -0.271185D+01 -0.345437D+01 -0.262316D+01 -0.926204D+01
      3   0.215399D+01  0.219187D+00 -0.262033D+01 -0.109667D+01  0.272262D+02
      4  -0.119963D+01  0.292099D+01 -0.625657D+01  0.709753D+01 -0.300644D+01
      5   0.250768D+01 -0.705818D+00  0.761800D+01 -0.627665D+01  0.326372D+02
      6  -0.260033D+01  0.618320D+01 -0.209564D+01  0.919871D+01 -0.256559D+02
               181           182           183           184           185 
      1   0.874796D+02 -0.833192D+01 -0.341175D+01  0.521723D+01  0.505679D+01
      2  -0.450905D+02  0.960397D+00  0.151224D+01 -0.584442D+01  0.886349D-02
      3  -0.423891D+02  0.737152D+01  0.189952D+01  0.627189D+00 -0.506565D+01
      4  -0.363930D+02  0.156207D+02  0.778402D+00  0.906044D+01 -0.375240D+01
      5   0.195852D+01 -0.558864D+00  0.100623D+02  0.513166D+00 -0.170355D+01
      6   0.198634D+01  0.751685D+00 -0.384342D+01  0.345604D+00  0.131843D+01
               186           187           188           189           190 
      1  -0.929330D+00 -0.701798D+01 -0.443628D+00  0.643631D+01  0.199828D+01
      2   0.146371D+01  0.359693D+01  0.212681D+01 -0.529887D+01  0.186443D+01
      3  -0.534384D+00  0.342105D+01 -0.168318D+01 -0.113743D+01 -0.386271D+01
      4  -0.188118D+01  0.371453D+01 -0.373634D+01 -0.306790D+01 -0.208621D+01
      5   0.926544D+00  0.116045D+02 -0.168851D+01 -0.372875D+00 -0.175103D+01
      6   0.630792D+00 -0.370842D+01  0.174923D+01 -0.564648D+00  0.232666D+01
               191           192           193           194           195 
      1  -0.862626D+01 -0.249884D+01 -0.526429D+01 -0.278134D+02 -0.589016D+01
      2   0.937903D+01  0.230394D+01  0.166401D+01  0.480522D+02  0.952825D+01
      3  -0.752772D+00  0.194899D+00  0.360028D+01 -0.202388D+02 -0.363809D+01
      4   0.373821D+00  0.154014D+01  0.866721D+01 -0.324563D+02 -0.602966D+01
      5  -0.284647D+00 -0.136552D+01 -0.336345D+00 -0.805377D+01 -0.635602D+01
      6   0.550730D+00  0.265393D+01 -0.123999D+00  0.734782D+01  0.881327D+01
               196           197           198 
      1  -0.425965D+01 -0.646387D+01 -0.785987D+01
      2   0.158812D+01  0.111906D+02  0.669310D+01
      3   0.267152D+01 -0.472670D+01  0.116678D+01
      4   0.491106D+01 -0.102395D+02 -0.457569D+01
      5   0.523652D+00 -0.637468D+01 -0.271662D+01
      6   0.452151D+00  0.942407D+01  0.493496D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 16:14:17 2021, MaxMem= 10737418240 cpu:           18195.8 elap:            1138.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44287 -10.43955 -10.43833 -10.43812 -10.43765
 Alpha  occ. eigenvalues --  -10.43745 -10.43721 -10.43669 -10.43364 -10.42768
 Alpha  occ. eigenvalues --   -1.01084  -0.94954  -0.89595  -0.85606  -0.83896
 Alpha  occ. eigenvalues --   -0.77458  -0.73062  -0.69646  -0.68209  -0.62647
 Alpha  occ. eigenvalues --   -0.58787  -0.57618  -0.55563  -0.53992  -0.53792
 Alpha  occ. eigenvalues --   -0.51542  -0.49433  -0.48876  -0.47770  -0.45437
 Alpha  occ. eigenvalues --   -0.44129  -0.43494  -0.42709  -0.42069  -0.34353
 Alpha  occ. eigenvalues --   -0.32840
 Alpha virt. eigenvalues --    0.05194   0.06097   0.06365   0.06827   0.07462
 Alpha virt. eigenvalues --    0.08673   0.08863   0.09558   0.10967   0.11980
 Alpha virt. eigenvalues --    0.12783   0.14323   0.16378   0.16965   0.17623
 Alpha virt. eigenvalues --    0.17957   0.19300   0.20000   0.21332   0.21651
 Alpha virt. eigenvalues --    0.21695   0.22362   0.22737   0.23835   0.24778
 Alpha virt. eigenvalues --    0.24967   0.26391   0.27166   0.27450   0.28175
 Alpha virt. eigenvalues --    0.28854   0.29723   0.30813   0.31245   0.31772
 Alpha virt. eigenvalues --    0.32320   0.32965   0.33562   0.33991   0.34656
 Alpha virt. eigenvalues --    0.34946   0.35515   0.35949   0.36657   0.37267
 Alpha virt. eigenvalues --    0.37317   0.37520   0.38771   0.39102   0.39611
 Alpha virt. eigenvalues --    0.39901   0.40079   0.40473   0.40848   0.41471
 Alpha virt. eigenvalues --    0.41852   0.42203   0.42689   0.43338   0.44130
 Alpha virt. eigenvalues --    0.44231   0.44651   0.44886   0.45250   0.46039
 Alpha virt. eigenvalues --    0.46091   0.46910   0.47833   0.48721   0.49508
 Alpha virt. eigenvalues --    0.49750   0.50561   0.50660   0.50821   0.51060
 Alpha virt. eigenvalues --    0.52275   0.52561   0.53143   0.53662   0.54065
 Alpha virt. eigenvalues --    0.54520   0.54997   0.55805   0.56838   0.57475
 Alpha virt. eigenvalues --    0.57792   0.58205   0.59015   0.60749   0.60968
 Alpha virt. eigenvalues --    0.62286   0.62993   0.63424   0.63811   0.64500
 Alpha virt. eigenvalues --    0.64982   0.65382   0.66518   0.67351   0.67771
 Alpha virt. eigenvalues --    0.68910   0.69880   0.70619   0.71279   0.72252
 Alpha virt. eigenvalues --    0.73666   0.74408   0.74709   0.76611   0.77114
 Alpha virt. eigenvalues --    0.78992   0.80218   0.81075   0.82488   0.82721
 Alpha virt. eigenvalues --    0.83178   0.84595   0.85952   0.87541   0.87886
 Alpha virt. eigenvalues --    0.90523   0.91469   0.97439   0.98289   0.99836
 Alpha virt. eigenvalues --    1.00881   1.01887   1.03347   1.04226   1.05203
 Alpha virt. eigenvalues --    1.05806   1.07375   1.08172   1.08813   1.09340
 Alpha virt. eigenvalues --    1.10302   1.11588   1.12280   1.13173   1.13875
 Alpha virt. eigenvalues --    1.14466   1.17070   1.17725   1.18119   1.19450
 Alpha virt. eigenvalues --    1.19791   1.20439   1.21624   1.24151   1.24526
 Alpha virt. eigenvalues --    1.26932   1.28885   1.29764   1.30712   1.31511
 Alpha virt. eigenvalues --    1.32678   1.33426   1.35596   1.35882   1.37790
 Alpha virt. eigenvalues --    1.39297   1.41963   1.43837   1.44995   1.47913
 Alpha virt. eigenvalues --    1.49950   1.50443   1.53513   1.55683   1.56943
 Alpha virt. eigenvalues --    1.61080   1.63854   1.66630   1.70050   1.71210
 Alpha virt. eigenvalues --    1.73057   1.74214   1.76246   1.77730   1.80143
 Alpha virt. eigenvalues --    1.81968   1.83168   1.84766   1.86217   1.87680
 Alpha virt. eigenvalues --    1.89015   1.90899   1.93366   1.93907   1.94452
 Alpha virt. eigenvalues --    1.96443   1.98676   1.99322   2.00137   2.01291
 Alpha virt. eigenvalues --    2.02790   2.07003   2.09177   2.09730   2.10274
 Alpha virt. eigenvalues --    2.10837   2.12262   2.13668   2.14683   2.16741
 Alpha virt. eigenvalues --    2.17104   2.19009   2.21245   2.21828   2.23125
 Alpha virt. eigenvalues --    2.25403   2.26416   2.26742   2.29409   2.30186
 Alpha virt. eigenvalues --    2.31378   2.36020   2.36601   2.42974   2.43860
 Alpha virt. eigenvalues --    2.46540   2.47159   2.47720   2.49057   2.50553
 Alpha virt. eigenvalues --    2.52796   2.54484   2.57434   2.58943   2.59665
 Alpha virt. eigenvalues --    2.62278   2.64430   2.66608   2.66795   2.70167
 Alpha virt. eigenvalues --    2.71633   2.77344   2.79023   2.81478   2.83452
 Alpha virt. eigenvalues --    2.84271   2.93539   2.94650   2.96474   2.97905
 Alpha virt. eigenvalues --    3.02958   3.07555   3.09007   3.12753   3.14474
 Alpha virt. eigenvalues --    3.14882   3.18870   3.22715   3.25061   3.25403
 Alpha virt. eigenvalues --    3.27022   3.30405   3.32818   3.42762   3.76188
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.257432  -0.088397   0.496473  -0.330053   0.570617  -0.631144
     2  C   -0.088397   6.475513  -0.286501   0.394683  -0.191427   0.601398
     3  C    0.496473  -0.286501   8.883531  -1.609976   0.479284  -0.414125
     4  C   -0.330053   0.394683  -1.609976  10.614490  -1.784210   0.108910
     5  C    0.570617  -0.191427   0.479284  -1.784210   9.766838  -1.345462
     6  C   -0.631144   0.601398  -0.414125   0.108910  -1.345462   9.076682
     7  C    0.005132   0.063058   0.094342  -0.745071  -0.020576  -0.484549
     8  C   -0.000872  -0.004606   0.059755  -0.105226  -0.248665   0.107791
     9  C    0.057685   0.009537  -0.403248  -0.038166  -0.415656   0.022086
    10  H   -0.235794  -0.214189  -0.056930   0.054971   0.018952  -0.223695
    11  H   -0.265972  -0.170726  -0.271592   0.058544   0.032385  -0.030856
    12  H   -0.088771  -0.224609  -0.399639  -0.512201   0.250309   0.123016
    13  H   -0.374055  -0.086006   0.132456   0.266200  -0.735813  -0.176567
    14  H   -0.013041  -0.008040  -0.023978   0.248523  -0.013922   0.068385
    15  C    0.002402  -0.000828  -0.006002   0.063252  -0.029099  -0.125170
    16  H   -0.001095  -0.000207   0.008465  -0.070744   0.006781  -0.006876
    17  H    0.000764  -0.001349  -0.014893   0.066261  -0.023159   0.020935
    18  H   -0.003139  -0.000249   0.002483   0.144182   0.044554  -0.011751
    19  H   -0.002525   0.000375  -0.034187  -0.038996   0.084205  -0.009723
    20  H    0.002565   0.000248  -0.000399  -0.016657   0.086241  -0.044187
    21  H   -0.000211  -0.000028  -0.000522  -0.005503  -0.010847   0.002023
    22  H   -0.001685   0.000047   0.001091   0.003220  -0.119917   0.027721
               7          8          9         10         11         12
     1  C    0.005132  -0.000872   0.057685  -0.235794  -0.265972  -0.088771
     2  C    0.063058  -0.004606   0.009537  -0.214189  -0.170726  -0.224609
     3  C    0.094342   0.059755  -0.403248  -0.056930  -0.271592  -0.399639
     4  C   -0.745071  -0.105226  -0.038166   0.054971   0.058544  -0.512201
     5  C   -0.020576  -0.248665  -0.415656   0.018952   0.032385   0.250309
     6  C   -0.484549   0.107791   0.022086  -0.223695  -0.030856   0.123016
     7  C    6.891110   0.305179  -0.121094   0.000716  -0.003419   0.008867
     8  C    0.305179   5.101130   0.161656  -0.000413   0.000567  -0.011479
     9  C   -0.121094   0.161656   5.662598  -0.002041   0.003234  -0.037996
    10  H    0.000716  -0.000413  -0.002041   2.143600  -0.477995   0.047377
    11  H   -0.003419   0.000567   0.003234  -0.477995   2.218390  -0.445745
    12  H    0.008867  -0.011479  -0.037996   0.047377  -0.445745   1.860525
    13  H   -0.011633   0.000646  -0.000375  -0.442181   0.051297  -0.014419
    14  H   -0.332897  -0.059020   0.018355  -0.002058   0.000510  -0.000570
    15  C    0.262060  -0.126358   0.013925   0.000500  -0.000127   0.000434
    16  H    0.144189   0.321019  -0.013935   0.000036  -0.000023   0.000126
    17  H   -0.086202   0.294248   0.009052  -0.000111   0.000141  -0.002122
    18  H    0.022626  -0.018333   0.085946   0.000167  -0.000690  -0.002568
    19  H    0.016747  -0.010066   0.163330   0.000167  -0.001305   0.034155
    20  H    0.090236  -0.053116   0.013051   0.000701  -0.000032   0.000108
    21  H    0.093566   0.021481  -0.008386   0.000020  -0.000000  -0.000005
    22  H    0.084392   0.023821   0.000508  -0.000588  -0.000001  -0.000002
              13         14         15         16         17         18
     1  C   -0.374055  -0.013041   0.002402  -0.001095   0.000764  -0.003139
     2  C   -0.086006  -0.008040  -0.000828  -0.000207  -0.001349  -0.000249
     3  C    0.132456  -0.023978  -0.006002   0.008465  -0.014893   0.002483
     4  C    0.266200   0.248523   0.063252  -0.070744   0.066261   0.144182
     5  C   -0.735813  -0.013922  -0.029099   0.006781  -0.023159   0.044554
     6  C   -0.176567   0.068385  -0.125170  -0.006876   0.020935  -0.011751
     7  C   -0.011633  -0.332897   0.262060   0.144189  -0.086202   0.022626
     8  C    0.000646  -0.059020  -0.126358   0.321019   0.294248  -0.018333
     9  C   -0.000375   0.018355   0.013925  -0.013935   0.009052   0.085946
    10  H   -0.442181  -0.002058   0.000500   0.000036  -0.000111   0.000167
    11  H    0.051297   0.000510  -0.000127  -0.000023   0.000141  -0.000690
    12  H   -0.014419  -0.000570   0.000434   0.000126  -0.002122  -0.002568
    13  H    2.019707   0.041016  -0.005892  -0.001982   0.002543   0.000272
    14  H    0.041016   1.206060   0.058800  -0.096368   0.025464  -0.000257
    15  C   -0.005892   0.058800   4.327682  -0.020337  -0.059178   0.001259
    16  H   -0.001982  -0.096368  -0.020337   0.943980  -0.068588  -0.079928
    17  H    0.002543   0.025464  -0.059178  -0.068588   0.933301   0.007588
    18  H    0.000272  -0.000257   0.001259  -0.079928   0.007588   0.762418
    19  H   -0.000292   0.001486   0.001809   0.024471  -0.077932  -0.023484
    20  H   -0.019711  -0.007325   0.280537  -0.002784  -0.012608   0.000449
    21  H   -0.002837  -0.017382   0.277226   0.008350  -0.019814  -0.000516
    22  H    0.027260   0.016394   0.196921   0.003749   0.007747  -0.000195
              19         20         21         22
     1  C   -0.002525   0.002565  -0.000211  -0.001685
     2  C    0.000375   0.000248  -0.000028   0.000047
     3  C   -0.034187  -0.000399  -0.000522   0.001091
     4  C   -0.038996  -0.016657  -0.005503   0.003220
     5  C    0.084205   0.086241  -0.010847  -0.119917
     6  C   -0.009723  -0.044187   0.002023   0.027721
     7  C    0.016747   0.090236   0.093566   0.084392
     8  C   -0.010066  -0.053116   0.021481   0.023821
     9  C    0.163330   0.013051  -0.008386   0.000508
    10  H    0.000167   0.000701   0.000020  -0.000588
    11  H   -0.001305  -0.000032  -0.000000  -0.000001
    12  H    0.034155   0.000108  -0.000005  -0.000002
    13  H   -0.000292  -0.019711  -0.002837   0.027260
    14  H    0.001486  -0.007325  -0.017382   0.016394
    15  C    0.001809   0.280537   0.277226   0.196921
    16  H    0.024471  -0.002784   0.008350   0.003749
    17  H   -0.077932  -0.012608  -0.019814   0.007747
    18  H   -0.023484   0.000449  -0.000516  -0.000195
    19  H    0.730839   0.000637   0.000074   0.000047
    20  H    0.000637   0.777971  -0.072594  -0.052430
    21  H    0.000074  -0.072594   0.861993  -0.113058
    22  H    0.000047  -0.052430  -0.113058   0.935221
 Mulliken charges:
               1
     1  C   -0.356317
     2  C   -0.267699
     3  C   -0.635887
     4  C   -0.766433
     5  C   -0.401413
     6  C   -0.654844
     7  C   -0.276778
     8  C    0.240861
     9  C    0.819936
    10  H    0.388788
    11  H    0.303416
    12  H    0.415210
    13  H    0.330366
    14  H   -0.110137
    15  C    0.886182
    16  H   -0.098298
    17  H   -0.002088
    18  H    0.069165
    19  H    0.140167
    20  H    0.029097
    21  H   -0.013030
    22  H   -0.040262
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.032471
     2  C    0.035716
     3  C   -0.220678
     4  C   -0.766433
     5  C   -0.401413
     6  C   -0.324478
     7  C   -0.386916
     8  C    0.140475
     9  C    1.029268
    15  C    0.861987
 Electronic spatial extent (au):  <R**2>=           1421.6366
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6048    Y=              0.2165    Z=             -0.1144  Tot=              0.6525
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.3101   YY=            -56.8886   ZZ=            -63.4296
   XY=              0.1341   XZ=             -1.1020   YZ=              0.6055
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.8993   YY=              2.3208   ZZ=             -4.2202
   XY=              0.1341   XZ=             -1.1020   YZ=              0.6055
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -8.9112  YYY=             -0.9849  ZZZ=             -0.2321  XYY=             -4.3589
  XXY=              0.1782  XXZ=              1.1316  XZZ=              7.6061  YZZ=              2.1905
  YYZ=             -0.6219  XYZ=             -0.7277
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1154.0310 YYYY=           -633.3707 ZZZZ=           -113.6859 XXXY=              4.7822
 XXXZ=            -15.2733 YYYX=              2.9895 YYYZ=              7.5433 ZZZX=              0.6033
 ZZZY=             -1.6513 XXYY=           -302.2884 XXZZ=           -234.7078 YYZZ=           -131.9417
 XXYZ=              1.2343 YYXZ=             -3.2105 ZZXY=             -0.1349
 N-N= 5.041844683919D+02 E-N=-1.904108938007D+03  KE= 3.829079384903D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 16:14:17 2021, MaxMem= 10737418240 cpu:               5.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28478003D-01 8.49444388D-02-4.65017555D-02
 Polarizability= 1.37957720D+02 1.63918920D+00 1.21489626D+02
                -3.54523752D+00 1.51232014D+00 7.49665008D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.7577    1.7565        0.9146    0.9137
 2     -1.7577   -1.7565       -0.7865   -0.7848       -8.7440   -8.7245
 3     -0.9146   -0.9137       32.1322   32.1237        0.7886    0.7848
 4      0.7865    0.7848       -0.0000    0.0000       -0.9149   -0.9137
 5    -23.3882  -23.3992        0.9149    0.9137        1.7520    1.7565
 6     -0.7886   -0.7848       -1.7520   -1.7565       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -5.2696   -5.2696        2.7412    2.7412
 2      2.3545    2.3545        0.0000    0.0000        2.7412    2.7412
 3      2.3545    2.3545       -5.2696   -5.2696        0.0000    0.0000
 4     -5.2696   -5.2696       -2.3545   -2.3545      -26.1734  -26.1734
 5     -2.7412   -2.7412       96.3711   96.3711        2.3545    2.3545
 6    -70.1977  -70.1977        2.7412    2.7412        5.2696    5.2696
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0025    0.0000       -7.1405   -7.0262       -3.4142   -3.6550
 2      7.0130    7.0262        2.9439    3.1393       34.3453   34.8978
 3      3.6395    3.6550     -128.5562 -128.4948       -2.8748   -3.1393
 4     -3.1020   -3.1393       -0.0447    0.0000        3.3160    3.6550
 5     93.6753   93.5970       -3.6604   -3.6550       -7.1502   -7.0262
 6      3.0429    3.1393        7.3454    7.0262        0.0255    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1003    0.0000        1.4004    1.7117      -11.1926  -10.9985
 2     -2.1294   -1.7117       45.2985   45.4496       11.2348   11.7708
 3     10.8106   10.9985        8.6266    9.3920      -45.6428  -45.4496
 4    -45.4846  -45.4496        0.4128    0.0000       11.0923   10.9985
 5    -21.6179  -21.1628      -11.5925  -10.9985        1.0462    1.7117
 6     45.5845   45.4496       -1.8625   -1.7117        0.1790    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.6127    0.8717       29.5665   29.0331       16.4978   16.4346
 2    -68.0573  -67.8457       30.1666   29.2147       16.4246   16.4346
 3    -68.1891  -67.8457       29.9170   29.0331       27.5940   27.5538
 4     -0.2643   -0.1816       69.1810   68.7174        0.8735    0.9459
 5     11.5786   11.1192       18.3671   18.5898      -68.0669  -68.7174
 6    -20.4498  -19.5357      -11.9234  -11.1192       -0.5871    0.1816
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1738   -0.0008   -0.0005    0.0003    3.5765    6.0893
 Low frequencies ---  106.3497  149.1017  211.4380
 Diagonal vibrational polarizability:
        1.3206233       0.8750057       6.3154137
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.3496               149.1015               211.4379
 Red. masses --      2.7186                 2.4375                 2.3431
 Frc consts  --      0.0181                 0.0319                 0.0617
 IR Inten    --      0.0226                 0.9817                 0.9824
 RamAct Fr= 1--      1.5659                 2.8336                 1.3419
  Dep-P Fr= 1--      0.7366                 0.7413                 0.5987
  Dep-U Fr= 1--      0.8483                 0.8514                 0.7490
 Alpha2 Fr= 1--      0.0004                 0.0004                 0.0038
 Beta2  Fr= 1--      0.2214                 0.4021                 0.1675
 AlphaG Fr= 1--     -0.0009                 0.0007                -0.0006
 Gamma2 Fr= 1--      0.0275                 0.4172                 1.0548
 Delta2 Fr= 1--     -0.0220                 0.3398                 0.2464
 Raman1 Fr= 1--       6.263                 11.335                  5.368
 ROA1   Fr= 1--       1.936                 50.925                109.149
 CID1   Fr= 1--       0.309                  4.493                 20.335
 Raman2 Fr= 1--       2.657                  4.825                  2.010
 ROA2   Fr= 1--       0.835                  7.295                 23.344
 CID2   Fr= 1--       0.314                  1.512                 11.613
 Raman3 Fr= 1--       5.313                  9.651                  4.020
 ROA3   Fr= 1--       1.936                 50.925                109.149
 CID3   Fr= 1--       0.364                  5.277                 27.149
 RC180  Fr= 1--       0.697                  0.703                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.04  -0.01   0.05     0.07  -0.04   0.12
     2   6     0.01  -0.02   0.07     0.04  -0.03   0.15     0.02  -0.04  -0.02
     3   6     0.02  -0.02   0.14     0.02  -0.01   0.04    -0.02  -0.01  -0.12
     4   6     0.01  -0.01   0.05     0.00   0.02  -0.12    -0.00   0.03  -0.07
     5   6     0.00  -0.00  -0.05     0.01   0.02  -0.15     0.01   0.04  -0.08
     6   6    -0.01   0.01  -0.16     0.03   0.01  -0.11     0.06   0.01   0.05
     7   6     0.00  -0.03  -0.02     0.02   0.03  -0.00    -0.00   0.01  -0.06
     8   6     0.04   0.02  -0.18    -0.05  -0.00   0.14     0.04   0.00  -0.06
     9   6    -0.01   0.00   0.01     0.01   0.01  -0.11     0.00   0.05   0.17
    10   1    -0.01   0.00  -0.19     0.06  -0.03   0.13     0.10  -0.07   0.26
    11   1     0.02  -0.02   0.14     0.06  -0.05   0.31     0.02  -0.06  -0.02
    12   1     0.03  -0.03   0.25     0.01  -0.02   0.11    -0.06  -0.02  -0.16
    13   1    -0.02   0.01  -0.27     0.03   0.02  -0.14     0.10   0.02   0.12
    14   1     0.06  -0.21  -0.00     0.17   0.10   0.02     0.04  -0.03  -0.05
    15   6    -0.07   0.05   0.21    -0.10  -0.03   0.04    -0.16  -0.04   0.01
    16   1    -0.05   0.01  -0.35     0.07  -0.00   0.37    -0.03   0.04  -0.17
    17   1     0.24   0.09  -0.21    -0.31  -0.05   0.19     0.21  -0.04  -0.09
    18   1    -0.13   0.07   0.03     0.15  -0.14  -0.18    -0.00   0.35   0.31
    19   1     0.06  -0.05   0.07    -0.06   0.11  -0.23    -0.00  -0.17   0.41
    20   1    -0.14   0.25   0.20    -0.35  -0.15  -0.01    -0.35  -0.07  -0.02
    21   1    -0.06  -0.00   0.26    -0.07   0.01   0.30    -0.13  -0.10   0.21
    22   1    -0.07  -0.01   0.36     0.01   0.01  -0.13    -0.14  -0.01  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    238.2188               264.2644               397.4969
 Red. masses --      1.1483                 2.4856                 2.6060
 Frc consts  --      0.0384                 0.1023                 0.2426
 IR Inten    --      0.0084                 1.6566                 0.3911
 RamAct Fr= 1--      0.0943                 0.5528                 0.9746
  Dep-P Fr= 1--      0.4547                 0.7146                 0.0996
  Dep-U Fr= 1--      0.6251                 0.8336                 0.1812
 Alpha2 Fr= 1--      0.0006                 0.0003                 0.0171
 Beta2  Fr= 1--      0.0098                 0.0768                 0.0294
 AlphaG Fr= 1--      0.0024                -0.0025                 0.0085
 Gamma2 Fr= 1--      0.0289                -0.4876                -0.3963
 Delta2 Fr= 1--      0.0325                -0.0856                -0.1091
 Raman1 Fr= 1--       0.377                  2.211                  3.898
 ROA1   Fr= 1--       3.816                -49.548                -41.538
 CID1   Fr= 1--      10.122                -22.406                -10.655
 Raman2 Fr= 1--       0.118                  0.922                  0.353
 ROA2   Fr= 1--       0.434                -11.017                 -8.639
 CID2   Fr= 1--       3.685                -11.953                -24.457
 Raman3 Fr= 1--       0.236                  1.843                  0.707
 ROA3   Fr= 1--       3.816                -49.548                -41.538
 CID3   Fr= 1--      16.192                -26.879                -58.793
 RC180  Fr= 1--       0.250                  0.667                 -0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.06   0.04   0.08    -0.01   0.00   0.02
     2   6    -0.01   0.03  -0.01    -0.02   0.05   0.07    -0.02  -0.01   0.13
     3   6     0.01   0.01   0.00     0.02   0.01  -0.09    -0.04   0.01  -0.14
     4   6     0.00  -0.02   0.01    -0.00  -0.05  -0.12    -0.02   0.01  -0.01
     5   6    -0.01  -0.03   0.00    -0.02  -0.06  -0.13     0.01   0.01   0.09
     6   6    -0.03  -0.01   0.01    -0.08  -0.02  -0.08    -0.03   0.03  -0.16
     7   6    -0.00  -0.02  -0.01     0.02  -0.04  -0.03     0.03  -0.01   0.17
     8   6    -0.00  -0.01  -0.03    -0.03  -0.05   0.05     0.04   0.09  -0.03
     9   6    -0.00  -0.02   0.02    -0.02  -0.03   0.10    -0.04   0.03  -0.00
    10   1    -0.05   0.03   0.01    -0.07   0.05   0.21     0.00  -0.01   0.04
    11   1    -0.01   0.05  -0.02     0.00   0.09   0.19    -0.00  -0.03   0.28
    12   1     0.03   0.02  -0.00     0.08   0.04  -0.09    -0.06   0.02  -0.31
    13   1    -0.05  -0.02   0.02    -0.14  -0.04  -0.08    -0.05   0.04  -0.35
    14   1    -0.00  -0.03  -0.01     0.09  -0.03  -0.02    -0.01  -0.02   0.17
    15   6     0.07   0.04   0.01     0.15   0.10   0.05     0.06  -0.14  -0.01
    16   1    -0.02  -0.02  -0.07    -0.02  -0.01   0.11    -0.08   0.06  -0.28
    17   1     0.04  -0.01  -0.04    -0.05  -0.14   0.05     0.27   0.30  -0.06
    18   1    -0.02   0.02   0.03     0.05   0.18   0.21    -0.07   0.05   0.01
    19   1     0.00  -0.04   0.04    -0.09  -0.19   0.27    -0.07   0.01   0.01
    20   1    -0.34  -0.27  -0.07     0.40   0.35   0.10     0.13  -0.39   0.01
    21   1     0.09   0.41   0.45     0.12   0.11  -0.21     0.06  -0.15  -0.07
    22   1     0.53   0.03  -0.33     0.10  -0.00   0.34     0.01  -0.04  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    423.4984               458.9573               519.9511
 Red. masses --      2.8403                 2.9757                 3.9080
 Frc consts  --      0.3001                 0.3693                 0.6225
 IR Inten    --      1.2983                 4.9778                 1.0822
 RamAct Fr= 1--      0.3000                 1.3552                 7.3529
  Dep-P Fr= 1--      0.7498                 0.1381                 0.1936
  Dep-U Fr= 1--      0.8570                 0.2427                 0.3244
 Alpha2 Fr= 1--      0.0000                 0.0216                 0.1016
 Beta2  Fr= 1--      0.0428                 0.0548                 0.3975
 AlphaG Fr= 1--      0.0001                 0.0262                -0.0407
 Gamma2 Fr= 1--      0.5825                -0.0848                -1.5960
 Delta2 Fr= 1--      0.0828                -0.0106                -0.3667
 Raman1 Fr= 1--       1.200                  5.421                 29.411
 ROA1   Fr= 1--      58.565                 -8.477               -164.955
 CID1   Fr= 1--      48.807                 -1.564                 -5.609
 Raman2 Fr= 1--       0.514                  0.658                  4.770
 ROA2   Fr= 1--      13.317                 -1.949                -35.371
 CID2   Fr= 1--      25.901                 -2.963                 -7.415
 Raman3 Fr= 1--       1.028                  1.316                  9.541
 ROA3   Fr= 1--      58.565                 -8.477               -164.955
 CID3   Fr= 1--      56.953                 -6.443                -17.290
 RC180  Fr= 1--       0.714                 -0.515                 -0.351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.08   0.05     0.02   0.03   0.14     0.09   0.02  -0.15
     2   6    -0.00  -0.09   0.03     0.03   0.06  -0.04     0.22   0.04   0.14
     3   6    -0.09   0.01  -0.09     0.06   0.01  -0.10     0.11   0.09  -0.09
     4   6    -0.02   0.13   0.10     0.05  -0.12   0.23     0.03  -0.02  -0.09
     5   6    -0.07   0.10   0.08     0.04  -0.09   0.04    -0.03  -0.07   0.19
     6   6     0.02   0.06  -0.10    -0.02  -0.05  -0.12     0.07  -0.12   0.03
     7   6    -0.11  -0.04  -0.03     0.03   0.07  -0.09    -0.16  -0.02   0.02
     8   6     0.04  -0.15   0.00    -0.02   0.05   0.02    -0.14  -0.04  -0.02
     9   6     0.15   0.01  -0.00    -0.05  -0.07   0.01    -0.07   0.02   0.00
    10   1     0.08  -0.12   0.07    -0.02   0.06   0.22    -0.04   0.13  -0.34
    11   1    -0.01  -0.14   0.03     0.02   0.10  -0.18     0.23   0.01   0.28
    12   1    -0.25  -0.03  -0.26     0.12   0.07  -0.41     0.13   0.10  -0.16
    13   1     0.13   0.12  -0.29    -0.13  -0.06  -0.38     0.08  -0.10  -0.08
    14   1    -0.20  -0.07  -0.05     0.02   0.11  -0.09    -0.33  -0.04  -0.02
    15   6     0.01   0.08   0.01    -0.09   0.08  -0.02    -0.08   0.07  -0.03
    16   1     0.12  -0.25   0.07    -0.02   0.13   0.09    -0.08  -0.10   0.05
    17   1    -0.03  -0.24   0.01    -0.08  -0.02   0.02    -0.21  -0.08  -0.01
    18   1     0.19  -0.12  -0.06    -0.20  -0.31  -0.11    -0.05   0.25   0.12
    19   1     0.34   0.11  -0.09    -0.04   0.09  -0.17    -0.14  -0.16   0.20
    20   1     0.05   0.16   0.02    -0.22   0.18  -0.04    -0.06   0.07  -0.03
    21   1    -0.01   0.29  -0.02    -0.06  -0.06   0.11    -0.09   0.17  -0.05
    22   1     0.20  -0.02   0.12    -0.17   0.08   0.03    -0.00   0.04  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    534.3372               593.4048               621.4727
 Red. masses --      4.2641                 3.1132                 3.2123
 Frc consts  --      0.7173                 0.6459                 0.7310
 IR Inten    --      0.5710                 1.4833                 0.8010
 RamAct Fr= 1--      4.9008                 1.6095                 2.5568
  Dep-P Fr= 1--      0.7311                 0.5005                 0.2775
  Dep-U Fr= 1--      0.8447                 0.6671                 0.4344
 Alpha2 Fr= 1--      0.0016                 0.0079                 0.0280
 Beta2  Fr= 1--      0.6899                 0.1790                 0.1851
 AlphaG Fr= 1--      0.0018                 0.0180                -0.0018
 Gamma2 Fr= 1--      0.6112                 0.4666                 0.2274
 Delta2 Fr= 1--      0.2189                 0.1373                -0.1547
 Raman1 Fr= 1--      19.603                  6.438                 10.227
 ROA1   Fr= 1--      65.682                 49.188                 16.886
 CID1   Fr= 1--       3.351                  7.640                  1.651
 Raman2 Fr= 1--       8.279                  2.148                  2.222
 ROA2   Fr= 1--      12.918                 10.100                  6.696
 CID2   Fr= 1--       1.560                  4.703                  3.014
 Raman3 Fr= 1--      16.558                  4.295                  4.443
 ROA3   Fr= 1--      65.682                 49.188                 16.886
 CID3   Fr= 1--       3.967                 11.452                  3.800
 RC180  Fr= 1--       0.689                  0.334                 -0.131
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.07     0.03  -0.06   0.12    -0.12  -0.10   0.06
     2   6    -0.03  -0.06   0.07     0.14   0.01  -0.16     0.04  -0.05  -0.05
     3   6     0.07  -0.12  -0.05     0.08   0.06   0.09     0.13  -0.11   0.02
     4   6     0.09  -0.03  -0.09     0.02   0.03  -0.00     0.14   0.06   0.04
     5   6    -0.04  -0.06   0.05    -0.12  -0.02  -0.12     0.00   0.00   0.04
     6   6    -0.15  -0.07   0.05    -0.02  -0.11  -0.10    -0.11   0.03  -0.02
     7   6    -0.01   0.15   0.04    -0.16   0.00   0.17     0.00  -0.06  -0.04
     8   6     0.20   0.08   0.07    -0.02   0.03   0.02    -0.11   0.06  -0.05
     9   6     0.18   0.00   0.00     0.02   0.02   0.00     0.02   0.25  -0.04
    10   1    -0.23  -0.08  -0.14    -0.05   0.01   0.39    -0.14  -0.09   0.01
    11   1     0.01   0.10   0.19     0.13   0.03  -0.20     0.06   0.16  -0.17
    12   1     0.06  -0.13  -0.02     0.05   0.02   0.27     0.06  -0.13  -0.09
    13   1    -0.17  -0.08   0.08     0.07  -0.09   0.04    -0.07   0.06  -0.16
    14   1    -0.06   0.26   0.02    -0.06   0.03   0.18    -0.01  -0.14  -0.04
    15   6    -0.11   0.17  -0.06    -0.02   0.02  -0.01     0.04  -0.08   0.03
    16   1     0.14  -0.01  -0.12    -0.11  -0.14  -0.29     0.11  -0.00   0.31
    17   1     0.37   0.14   0.04     0.25   0.23  -0.02    -0.49  -0.04   0.01
    18   1     0.29  -0.03  -0.00     0.03  -0.08  -0.04    -0.10   0.45   0.05
    19   1     0.05   0.03  -0.04    -0.02   0.09  -0.08     0.08   0.08   0.16
    20   1    -0.16   0.15  -0.07     0.23  -0.17   0.04     0.02  -0.09   0.02
    21   1    -0.10   0.07  -0.01    -0.06   0.21  -0.24     0.05  -0.10   0.04
    22   1    -0.20   0.21  -0.09     0.07   0.03  -0.11     0.03  -0.08   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    732.6043               751.3681               767.8037
 Red. masses --      3.2203                 2.3853                 1.5851
 Frc consts  --      1.0183                 0.7934                 0.5506
 IR Inten    --      4.0162                18.1070                37.6064
 RamAct Fr= 1--      2.7424                17.0183                 7.4043
  Dep-P Fr= 1--      0.1095                 0.0561                 0.1423
  Dep-U Fr= 1--      0.1975                 0.1062                 0.2491
 Alpha2 Fr= 1--      0.0469                 0.3313                 0.1167
 Beta2  Fr= 1--      0.0903                 0.3011                 0.3075
 AlphaG Fr= 1--     -0.0097                -0.0059                 0.0162
 Gamma2 Fr= 1--     -0.5942                -0.4864                -0.1509
 Delta2 Fr= 1--     -0.2021                -0.1029                 0.0189
 Raman1 Fr= 1--      10.970                 68.073                 29.617
 ROA1   Fr= 1--     -63.508                -49.988                -13.885
 CID1   Fr= 1--      -5.789                 -0.734                 -0.469
 Raman2 Fr= 1--       1.083                  3.614                  3.690
 ROA2   Fr= 1--     -12.644                -10.850                 -3.773
 CID2   Fr= 1--     -11.674                 -3.003                 -1.023
 Raman3 Fr= 1--       2.166                  7.227                  7.379
 ROA3   Fr= 1--     -63.508                -49.988                -13.885
 CID3   Fr= 1--     -29.319                 -6.917                 -1.882
 RC180  Fr= 1--      -0.605                 -0.788                 -0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05  -0.16    -0.00   0.05  -0.05    -0.00  -0.01  -0.03
     2   6     0.10  -0.02   0.10    -0.05  -0.01  -0.04    -0.01   0.02  -0.09
     3   6    -0.00   0.07  -0.14     0.10  -0.15  -0.07    -0.06   0.07  -0.01
     4   6     0.02   0.05   0.20     0.08  -0.05   0.02    -0.03   0.01  -0.00
     5   6    -0.07   0.02  -0.19     0.07   0.05   0.01    -0.01  -0.04   0.11
     6   6    -0.03  -0.06   0.10     0.01   0.19  -0.03    -0.01  -0.09  -0.07
     7   6     0.00  -0.03  -0.05    -0.07  -0.03   0.05     0.05   0.02  -0.03
     8   6    -0.02   0.05   0.01    -0.06  -0.05  -0.00     0.03   0.02  -0.03
     9   6    -0.01   0.05   0.07    -0.05  -0.04   0.02     0.03   0.03  -0.02
    10   1    -0.11  -0.00   0.12     0.20  -0.11   0.43     0.00  -0.00   0.54
    11   1     0.14  -0.01   0.34     0.03   0.08   0.46     0.05  -0.10   0.52
    12   1    -0.08   0.03  -0.11     0.23  -0.15   0.25    -0.04   0.02   0.40
    13   1     0.07  -0.07   0.49     0.07   0.18   0.33    -0.01  -0.12   0.20
    14   1     0.16  -0.02  -0.02    -0.10  -0.04   0.04    -0.08  -0.01  -0.05
    15   6     0.04  -0.07   0.03    -0.05   0.04  -0.02     0.02  -0.01   0.00
    16   1    -0.09   0.11  -0.06    -0.11  -0.09  -0.11     0.12   0.05   0.17
    17   1     0.09   0.02  -0.01     0.04  -0.01  -0.02    -0.16  -0.06   0.01
    18   1    -0.11  -0.31  -0.11    -0.09  -0.15  -0.03    -0.02   0.11   0.02
    19   1     0.09   0.32  -0.21    -0.06   0.03  -0.06     0.08  -0.03   0.06
    20   1     0.06  -0.03   0.03     0.05  -0.01   0.00    -0.10   0.04  -0.02
    21   1     0.04  -0.03   0.01    -0.07   0.16  -0.11     0.05  -0.14   0.11
    22   1     0.09  -0.10   0.07     0.03   0.03  -0.04    -0.06   0.01   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    814.9262               857.7579               881.8694
 Red. masses --      2.1386                 2.8230                 1.3484
 Frc consts  --      0.8368                 1.2238                 0.6178
 IR Inten    --      0.4324                 0.1904                 0.0980
 RamAct Fr= 1--      1.3437                 7.8802                 0.4206
  Dep-P Fr= 1--      0.7084                 0.0854                 0.5853
  Dep-U Fr= 1--      0.8293                 0.1573                 0.7384
 Alpha2 Fr= 1--      0.0010                 0.1430                 0.0013
 Beta2  Fr= 1--      0.1857                 0.2066                 0.0518
 AlphaG Fr= 1--     -0.0013                 0.0443                 0.0101
 Gamma2 Fr= 1--      0.8656                 0.5799                -0.8405
 Delta2 Fr= 1--      0.9834                 0.2877                -0.5043
 Raman1 Fr= 1--       5.375                 31.521                  1.682
 ROA1   Fr= 1--     114.566                 64.878                -96.830
 CID1   Fr= 1--      21.315                  2.058                -57.555
 Raman2 Fr= 1--       2.229                  2.479                  0.621
 ROA2   Fr= 1--      12.908                 11.617                -16.138
 CID2   Fr= 1--       5.791                  4.685                -25.980
 Raman3 Fr= 1--       4.457                  4.959                  1.242
 ROA3   Fr= 1--     114.566                 64.878                -96.830
 CID3   Fr= 1--      25.702                 13.084                -77.941
 RC180  Fr= 1--       0.659                 -0.685                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08  -0.05     0.09   0.11   0.01     0.00  -0.01   0.06
     2   6    -0.11   0.02   0.06    -0.15   0.03   0.00    -0.01   0.00  -0.05
     3   6    -0.04  -0.03  -0.01    -0.02  -0.07  -0.02    -0.01   0.01  -0.10
     4   6     0.01  -0.06   0.10     0.02  -0.03  -0.02     0.00  -0.00   0.03
     5   6     0.02  -0.05  -0.11     0.04  -0.09   0.00     0.00   0.00  -0.04
     6   6     0.04  -0.07  -0.00     0.06  -0.10   0.00     0.01  -0.01   0.09
     7   6    -0.02   0.03   0.11    -0.11  -0.09  -0.07     0.01   0.02   0.03
     8   6    -0.00  -0.03  -0.07     0.02   0.07   0.08    -0.03  -0.01  -0.03
     9   6     0.08   0.06  -0.06     0.03   0.21   0.04     0.02  -0.01   0.01
    10   1     0.09   0.05   0.08     0.11   0.09  -0.08    -0.05   0.03  -0.39
    11   1    -0.14  -0.06  -0.06    -0.15  -0.09   0.10     0.04  -0.02   0.32
    12   1     0.02   0.02  -0.22     0.11  -0.03   0.13     0.06  -0.05   0.58
    13   1    -0.06  -0.14   0.24    -0.12  -0.15  -0.15    -0.06   0.03  -0.53
    14   1     0.11  -0.06   0.14    -0.16   0.01  -0.08     0.10  -0.03   0.04
    15   6    -0.04   0.07   0.01    -0.02  -0.06  -0.02    -0.00   0.02   0.01
    16   1     0.21  -0.25   0.16    -0.04  -0.05  -0.14     0.01  -0.03   0.02
    17   1    -0.31   0.05  -0.00     0.28   0.02   0.03    -0.08  -0.00  -0.02
    18   1    -0.14   0.32   0.06     0.22  -0.08  -0.09    -0.07  -0.03  -0.00
    19   1     0.28  -0.15   0.20    -0.11   0.42  -0.21     0.12   0.01   0.00
    20   1     0.13  -0.21   0.04    -0.01   0.19  -0.01     0.05  -0.11   0.02
    21   1    -0.07   0.08  -0.19    -0.04   0.19   0.01    -0.01  -0.01  -0.06
    22   1    -0.10   0.18  -0.22     0.23  -0.25   0.25    -0.06   0.08  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    918.3026               935.9965               961.9110
 Red. masses --      1.9168                 1.3693                 1.2360
 Frc consts  --      0.9524                 0.7068                 0.6738
 IR Inten    --      0.1240                 0.5917                 0.0175
 RamAct Fr= 1--      1.1778                 0.1081                 0.0160
  Dep-P Fr= 1--      0.7489                 0.6048                 0.5160
  Dep-U Fr= 1--      0.8564                 0.7537                 0.6808
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0001
 Beta2  Fr= 1--      0.1681                 0.0136                 0.0018
 AlphaG Fr= 1--     -0.0003                 0.0017                -0.0021
 Gamma2 Fr= 1--      0.3351                 0.1392                 0.0261
 Delta2 Fr= 1--     -0.0633                -0.0496                -0.0139
 Raman1 Fr= 1--       4.711                  0.432                  0.064
 ROA1   Fr= 1--      30.140                 11.778                  2.063
 CID1   Fr= 1--       6.398                 27.251                 32.191
 Raman2 Fr= 1--       2.017                  0.163                  0.022
 ROA2   Fr= 1--       8.548                  3.738                  0.738
 CID2   Fr= 1--       4.237                 22.949                 33.839
 Raman3 Fr= 1--       4.035                  0.326                  0.044
 ROA3   Fr= 1--      30.140                 11.778                  2.063
 CID3   Fr= 1--       7.470                 36.154                 47.286
 RC180  Fr= 1--       0.713                  0.507                  0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.01  -0.00   0.06    -0.01   0.01  -0.09
     2   6     0.02   0.00  -0.01     0.01  -0.00   0.07     0.01  -0.01   0.09
     3   6    -0.00   0.01  -0.01    -0.01   0.00  -0.09    -0.01   0.00  -0.05
     4   6    -0.01  -0.04   0.03     0.00  -0.00  -0.00    -0.00   0.00  -0.01
     5   6    -0.04   0.04  -0.03    -0.00  -0.00   0.03     0.00  -0.00   0.01
     6   6    -0.00   0.03   0.03    -0.01   0.00  -0.11     0.01  -0.00   0.05
     7   6    -0.07  -0.04  -0.02    -0.01  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.20   0.11   0.02     0.02   0.02  -0.02    -0.00  -0.00   0.00
     9   6    -0.05  -0.06  -0.05     0.00  -0.00   0.02     0.00  -0.00  -0.01
    10   1     0.02  -0.02  -0.00    -0.03   0.03  -0.34     0.07  -0.04   0.59
    11   1     0.03  -0.01   0.08    -0.05   0.04  -0.42    -0.07   0.04  -0.57
    12   1     0.02   0.01   0.02     0.07  -0.05   0.52     0.04  -0.03   0.37
    13   1     0.05   0.07  -0.12     0.06  -0.05   0.56    -0.04   0.03  -0.39
    14   1    -0.11  -0.11  -0.02    -0.11  -0.08  -0.02    -0.01   0.03  -0.00
    15   6    -0.05  -0.05  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.36   0.13   0.35     0.06   0.07   0.10    -0.01  -0.02  -0.02
    17   1    -0.19   0.05   0.09    -0.09  -0.07  -0.01     0.01   0.02   0.00
    18   1    -0.28   0.15   0.04    -0.06  -0.08  -0.01     0.01   0.02   0.00
    19   1    -0.25  -0.22   0.10     0.02   0.06  -0.04    -0.00  -0.02   0.01
    20   1     0.15   0.04   0.04     0.00  -0.02   0.00    -0.02   0.02  -0.01
    21   1    -0.10   0.34  -0.14    -0.00  -0.01   0.00     0.01  -0.01   0.02
    22   1     0.28  -0.22   0.15    -0.00   0.01  -0.01    -0.00  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    969.7726               982.9209              1037.2100
 Red. masses --      1.3951                 2.1838                 2.2217
 Frc consts  --      0.7730                 1.2431                 1.4082
 IR Inten    --      0.6958                 0.7782                 0.6274
 RamAct Fr= 1--      0.2244                 3.4859                17.3541
  Dep-P Fr= 1--      0.6800                 0.3193                 0.1714
  Dep-U Fr= 1--      0.8095                 0.4840                 0.2927
 Alpha2 Fr= 1--      0.0003                 0.0337                 0.2540
 Beta2  Fr= 1--      0.0303                 0.2812                 0.8465
 AlphaG Fr= 1--     -0.0029                 0.0292                -0.0505
 Gamma2 Fr= 1--      0.0011                -1.0388                 1.3339
 Delta2 Fr= 1--      0.3802                 0.1465                -0.5006
 Raman1 Fr= 1--       0.898                 13.944                 69.416
 ROA1   Fr= 1--      12.272                -95.034                112.032
 CID1   Fr= 1--      13.673                 -6.816                  1.614
 Raman2 Fr= 1--       0.363                  3.375                 10.158
 ROA2   Fr= 1--      -3.015                -26.102                 36.018
 CID2   Fr= 1--      -8.300                 -7.735                  3.546
 Raman3 Fr= 1--       0.727                  6.749                 20.316
 ROA3   Fr= 1--      12.272                -95.034                112.032
 CID3   Fr= 1--      16.891                -14.081                  5.514
 RC180  Fr= 1--       0.619                 -0.032                 -0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02     0.02   0.01   0.00     0.07   0.10  -0.00
     2   6     0.02  -0.00   0.00    -0.04  -0.00   0.00     0.02  -0.00  -0.01
     3   6    -0.00   0.01  -0.03     0.01  -0.02  -0.01     0.03  -0.12   0.00
     4   6     0.00  -0.00   0.06     0.02  -0.00   0.02    -0.02  -0.01  -0.03
     5   6    -0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.12   0.04  -0.04
     6   6    -0.01   0.02  -0.01     0.01   0.01  -0.00    -0.01  -0.01   0.02
     7   6     0.01   0.02   0.03    -0.06   0.02  -0.01    -0.10   0.13   0.02
     8   6     0.02  -0.08   0.06    -0.14   0.15  -0.00     0.06  -0.00  -0.06
     9   6    -0.05   0.03  -0.09     0.17  -0.14  -0.02    -0.01  -0.02   0.05
    10   1    -0.02   0.00  -0.11     0.06  -0.02  -0.05     0.03   0.14   0.01
    11   1     0.02   0.00   0.01    -0.04  -0.02   0.02     0.04   0.00   0.02
    12   1     0.00  -0.01   0.14     0.04  -0.01   0.01    -0.01  -0.13  -0.10
    13   1     0.02   0.01   0.10     0.04   0.01   0.03    -0.06  -0.01  -0.09
    14   1     0.02   0.44   0.01    -0.13   0.22  -0.04    -0.45   0.17  -0.05
    15   6     0.03  -0.03  -0.06     0.02  -0.08  -0.01     0.14  -0.04   0.04
    16   1     0.02  -0.39  -0.19    -0.26   0.35  -0.05     0.21  -0.13   0.14
    17   1     0.13   0.26   0.06    -0.14   0.34   0.01    -0.13  -0.20  -0.04
    18   1    -0.18   0.28   0.02     0.22   0.09   0.09    -0.14  -0.15  -0.02
    19   1    -0.04  -0.17   0.13     0.39  -0.29   0.17    -0.04   0.08  -0.07
    20   1    -0.20   0.32  -0.09    -0.05   0.15  -0.02    -0.15  -0.06  -0.01
    21   1     0.06  -0.07   0.21     0.03   0.02   0.12     0.20  -0.46   0.29
    22   1     0.04  -0.14   0.23     0.14  -0.21   0.22    -0.18   0.05   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1053.0252              1102.3884              1106.3668
 Red. masses --      2.0945                 1.6201                 2.0587
 Frc consts  --      1.3684                 1.1600                 1.4847
 IR Inten    --      3.8036                 2.6229                 2.2774
 RamAct Fr= 1--     26.0052                 0.6861                 1.5332
  Dep-P Fr= 1--      0.0439                 0.6525                 0.6123
  Dep-U Fr= 1--      0.0842                 0.7897                 0.7596
 Alpha2 Fr= 1--      0.5211                 0.0012                 0.0039
 Beta2  Fr= 1--      0.3649                 0.0903                 0.1941
 AlphaG Fr= 1--      0.0528                -0.0092                 0.0250
 Gamma2 Fr= 1--     -0.9645                 0.3215                 0.4504
 Delta2 Fr= 1--     -0.8726                 0.4077                 0.5836
 Raman1 Fr= 1--     104.021                  2.745                  6.133
 ROA1   Fr= 1--    -120.521                 43.914                 61.911
 CID1   Fr= 1--      -1.159                 16.000                 10.095
 Raman2 Fr= 1--       4.379                  1.084                  2.329
 ROA2   Fr= 1--     -16.168                  4.455                  6.139
 CID2   Fr= 1--      -3.692                  4.110                  2.636
 Raman3 Fr= 1--       8.758                  2.167                  4.658
 ROA3   Fr= 1--    -120.521                 43.914                 61.911
 CID3   Fr= 1--     -13.761                 20.260                 13.291
 RC180  Fr= 1--      -0.832                  0.579                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.15   0.00    -0.03  -0.01   0.00     0.02  -0.05  -0.01
     2   6     0.17  -0.07  -0.02     0.02  -0.00  -0.00     0.01  -0.05  -0.01
     3   6    -0.07  -0.09  -0.00    -0.00   0.01   0.03    -0.02   0.13   0.01
     4   6    -0.02   0.00   0.01    -0.03   0.00  -0.09     0.02  -0.07  -0.00
     5   6     0.01  -0.03   0.01     0.06  -0.02  -0.01     0.02  -0.07  -0.05
     6   6    -0.12   0.06   0.01     0.00   0.00   0.01    -0.06   0.11   0.03
     7   6     0.03  -0.05  -0.01     0.04  -0.01   0.10    -0.05  -0.12   0.05
     8   6    -0.01   0.01   0.02     0.00  -0.01  -0.08    -0.00   0.08   0.01
     9   6     0.02   0.00  -0.02    -0.01   0.01   0.11     0.05   0.02   0.02
    10   1    -0.06   0.27   0.03    -0.06   0.02   0.03     0.29  -0.27  -0.06
    11   1     0.15  -0.28  -0.04     0.02   0.03  -0.02    -0.05  -0.39  -0.01
    12   1    -0.50  -0.26   0.06    -0.04   0.01  -0.09     0.17   0.21  -0.03
    13   1    -0.55  -0.10   0.07    -0.06  -0.02  -0.06    -0.19   0.08  -0.01
    14   1     0.14  -0.07   0.01     0.00   0.16   0.08    -0.26  -0.21   0.01
    15   6    -0.03   0.02  -0.01    -0.04  -0.03  -0.07     0.06   0.07  -0.05
    16   1    -0.06   0.07  -0.02     0.14  -0.08   0.12     0.10  -0.11   0.04
    17   1     0.04   0.08   0.02    -0.27   0.15  -0.02    -0.06   0.09   0.02
    18   1     0.07   0.07   0.01    -0.39  -0.29  -0.05    -0.01  -0.03  -0.00
    19   1     0.07  -0.03   0.03     0.46   0.25  -0.10    -0.15   0.04  -0.03
    20   1     0.02   0.02  -0.01    -0.08   0.30  -0.08    -0.27   0.11  -0.11
    21   1    -0.04   0.10  -0.06    -0.05   0.20   0.06     0.11  -0.27   0.17
    22   1     0.01   0.01  -0.03     0.13  -0.18   0.19    -0.25   0.16  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1130.4591              1182.3228              1184.7116
 Red. masses --      2.1900                 1.2158                 1.5869
 Frc consts  --      1.6489                 1.0013                 1.3123
 IR Inten    --      0.2800                 0.3149                 0.2666
 RamAct Fr= 1--      1.4769                 5.4739                 3.5605
  Dep-P Fr= 1--      0.6745                 0.4313                 0.6321
  Dep-U Fr= 1--      0.8056                 0.6027                 0.7746
 Alpha2 Fr= 1--      0.0020                 0.0361                 0.0076
 Beta2  Fr= 1--      0.1983                 0.5498                 0.4597
 AlphaG Fr= 1--      0.0209                -0.0290                 0.0095
 Gamma2 Fr= 1--      0.2242                 0.6766                -0.4560
 Delta2 Fr= 1--     -0.0640                 0.4077                -0.3497
 Raman1 Fr= 1--       5.908                 21.896                 14.242
 ROA1   Fr= 1--      19.477                 78.000                -54.970
 CID1   Fr= 1--       3.297                  3.562                 -3.860
 Raman2 Fr= 1--       2.380                  6.598                  5.516
 ROA2   Fr= 1--       5.893                 12.977                 -8.147
 CID2   Fr= 1--       2.476                  1.967                 -1.477
 Raman3 Fr= 1--       4.759                 13.196                 11.032
 ROA3   Fr= 1--      19.477                 78.000                -54.970
 CID3   Fr= 1--       4.093                  5.911                 -4.983
 RC180  Fr= 1--       0.611                  0.205                  0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.00     0.01  -0.05  -0.00     0.08  -0.01  -0.01
     2   6     0.04  -0.04  -0.01     0.02   0.07   0.00    -0.05   0.00   0.01
     3   6    -0.01   0.09   0.01    -0.06   0.00   0.01     0.05   0.01  -0.00
     4   6    -0.02  -0.10  -0.02     0.00  -0.02   0.01     0.06   0.10  -0.00
     5   6     0.06  -0.04   0.03     0.06  -0.01  -0.02    -0.08   0.03   0.01
     6   6    -0.07   0.08   0.00     0.01  -0.00   0.00    -0.07  -0.05   0.00
     7   6    -0.05   0.19  -0.08    -0.03   0.01   0.01     0.04   0.01   0.02
     8   6    -0.03  -0.01  -0.03    -0.02   0.03  -0.01     0.03  -0.06  -0.00
     9   6     0.03   0.03   0.02     0.02  -0.01   0.01    -0.06  -0.01  -0.01
    10   1     0.17  -0.18  -0.03     0.29  -0.28  -0.06     0.53  -0.38  -0.08
    11   1    -0.01  -0.28  -0.03     0.12   0.67   0.04    -0.05   0.01   0.00
    12   1     0.18   0.16   0.00    -0.47  -0.16   0.04     0.17   0.06  -0.01
    13   1    -0.29  -0.01   0.07    -0.16  -0.07   0.01    -0.51  -0.21   0.03
    14   1     0.11   0.38  -0.06    -0.10  -0.01  -0.00     0.08   0.03   0.03
    15   6    -0.02  -0.10   0.10     0.01  -0.01  -0.00    -0.01  -0.01  -0.01
    16   1     0.08  -0.33  -0.07     0.05  -0.13  -0.01    -0.12   0.33   0.04
    17   1     0.00  -0.17  -0.05    -0.03  -0.05  -0.02     0.03  -0.03   0.00
    18   1     0.05  -0.04  -0.01     0.10  -0.01   0.01    -0.12   0.01  -0.01
    19   1    -0.01   0.06  -0.03    -0.15  -0.01  -0.02     0.09  -0.02   0.01
    20   1     0.30  -0.23   0.16    -0.02   0.01  -0.01     0.02   0.05  -0.01
    21   1    -0.07   0.16  -0.14     0.01  -0.01   0.02    -0.02   0.07   0.00
    22   1     0.21  -0.13   0.01    -0.01  -0.01   0.02     0.03  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1194.1833              1217.7573              1242.5518
 Red. masses --      1.5167                 1.5827                 1.9720
 Frc consts  --      1.2743                 1.3828                 1.7939
 IR Inten    --      0.7081                 0.0174                 2.8113
 RamAct Fr= 1--      1.4175                 9.7188                24.1456
  Dep-P Fr= 1--      0.6042                 0.2662                 0.0810
  Dep-U Fr= 1--      0.7533                 0.4204                 0.1498
 Alpha2 Fr= 1--      0.0038                 0.1100                 0.4428
 Beta2  Fr= 1--      0.1780                 0.6810                 0.6029
 AlphaG Fr= 1--      0.0029                -0.0522                -0.0062
 Gamma2 Fr= 1--     -0.3606                 2.2700                -1.5993
 Delta2 Fr= 1--      0.0548                 0.8936                -0.6327
 Raman1 Fr= 1--       5.670                 38.875                 96.582
 ROA1   Fr= 1--     -32.863                246.519               -173.782
 CID1   Fr= 1--      -5.796                  6.341                 -1.799
 Raman2 Fr= 1--       2.136                  8.172                  7.234
 ROA2   Fr= 1--      -9.092                 47.333                -33.323
 CID2   Fr= 1--      -4.257                  5.792                 -4.606
 Raman3 Fr= 1--       4.271                 16.344                 14.469
 ROA3   Fr= 1--     -32.863                246.519               -173.782
 CID3   Fr= 1--      -7.694                 15.083                -12.011
 RC180  Fr= 1--       0.507                 -0.159                 -0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.08   0.00  -0.01
     2   6     0.01  -0.02  -0.00     0.06   0.02  -0.01     0.04   0.05  -0.00
     3   6    -0.01   0.02  -0.00    -0.02  -0.02   0.00    -0.03  -0.06  -0.01
     4   6     0.00  -0.02   0.05    -0.12  -0.11  -0.00    -0.07  -0.11   0.02
     5   6     0.06   0.00  -0.06    -0.01  -0.02  -0.01    -0.16   0.03   0.05
     6   6     0.01   0.00   0.01    -0.01   0.04   0.01    -0.07   0.02   0.00
     7   6     0.03   0.07   0.13    -0.01   0.00  -0.02     0.07  -0.02   0.03
     8   6    -0.00  -0.04  -0.07     0.04  -0.02   0.07    -0.02   0.02  -0.07
     9   6    -0.03   0.02  -0.03    -0.05   0.07  -0.05     0.04   0.04   0.03
    10   1    -0.14   0.08   0.01     0.08  -0.08  -0.01     0.18  -0.08  -0.02
    11   1    -0.00  -0.12   0.00     0.11   0.26   0.01     0.06   0.13   0.01
    12   1     0.03   0.03   0.02     0.24   0.07  -0.02     0.27   0.04  -0.01
    13   1    -0.08  -0.03  -0.02     0.06   0.07  -0.01     0.29   0.15   0.00
    14   1    -0.34  -0.07   0.06    -0.24  -0.12  -0.06     0.57  -0.03   0.14
    15   6    -0.02  -0.04  -0.05     0.01   0.01   0.02    -0.02  -0.00  -0.06
    16   1    -0.08   0.33   0.09    -0.12   0.29   0.01     0.11  -0.14   0.04
    17   1     0.03  -0.46  -0.09     0.19  -0.05   0.04    -0.11  -0.02  -0.05
    18   1     0.53   0.09   0.02     0.01   0.14  -0.01     0.41  -0.02   0.02
    19   1    -0.19  -0.03   0.00     0.73   0.06   0.06    -0.22   0.08  -0.05
    20   1    -0.04   0.20  -0.05     0.01  -0.07   0.02    -0.04   0.17  -0.06
    21   1    -0.02   0.13   0.09     0.01  -0.04  -0.01    -0.00   0.05   0.05
    22   1     0.07  -0.13   0.14    -0.03   0.04  -0.04     0.05  -0.07   0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1297.0190              1305.9485              1324.7066
 Red. masses --      1.3692                 1.6613                 1.3799
 Frc consts  --      1.3571                 1.6694                 1.4267
 IR Inten    --      1.3353                 0.3038                 1.5608
 RamAct Fr= 1--      3.3991                 4.8879                 2.6598
  Dep-P Fr= 1--      0.3177                 0.4599                 0.3237
  Dep-U Fr= 1--      0.4822                 0.6301                 0.4891
 Alpha2 Fr= 1--      0.0330                 0.0288                 0.0254
 Beta2  Fr= 1--      0.2732                 0.5133                 0.2168
 AlphaG Fr= 1--     -0.0554                 0.0201                 0.0298
 Gamma2 Fr= 1--      1.1318                -0.0951                -1.0516
 Delta2 Fr= 1--      0.7307                -0.6184                -0.6556
 Raman1 Fr= 1--      13.596                 19.551                 10.639
 ROA1   Fr= 1--     132.036                -28.922               -121.930
 CID1   Fr= 1--       9.711                 -1.479                -11.460
 Raman2 Fr= 1--       3.278                  6.160                  2.602
 ROA2   Fr= 1--      21.318                  2.664                -19.993
 CID2   Fr= 1--       6.504                  0.433                 -7.684
 Raman3 Fr= 1--       6.556                 12.319                  5.204
 ROA3   Fr= 1--     132.036                -28.922               -121.930
 CID3   Fr= 1--      20.140                 -2.348                -23.432
 RC180  Fr= 1--      -0.036                  0.260                 -0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.04   0.01     0.03  -0.03  -0.00
     2   6     0.01  -0.04  -0.00    -0.01  -0.04  -0.00     0.01   0.04   0.00
     3   6     0.02  -0.03  -0.01     0.05   0.03  -0.01    -0.04  -0.01   0.00
     4   6    -0.08   0.07   0.03    -0.02   0.04   0.02     0.03  -0.04   0.00
     5   6     0.04   0.06  -0.00     0.00  -0.11   0.01    -0.01   0.04  -0.02
     6   6     0.04  -0.02  -0.01     0.04   0.03  -0.01    -0.04  -0.01   0.01
     7   6    -0.00  -0.00  -0.03    -0.09  -0.07  -0.01     0.08  -0.01  -0.03
     8   6     0.01   0.05  -0.00     0.08  -0.02  -0.07     0.01  -0.10  -0.02
     9   6    -0.07  -0.05   0.02    -0.09  -0.00   0.02     0.01   0.03   0.04
    10   1    -0.11   0.06   0.01     0.11  -0.08  -0.02    -0.03   0.03   0.00
    11   1     0.04   0.15   0.01     0.01   0.05   0.00    -0.00  -0.05  -0.00
    12   1     0.37   0.10  -0.03    -0.15  -0.05   0.02     0.03   0.02  -0.01
    13   1    -0.41  -0.19   0.03     0.11   0.06   0.01     0.04   0.02  -0.01
    14   1    -0.03  -0.23  -0.02     0.28   0.61   0.03    -0.52   0.15  -0.15
    15   6     0.01  -0.00  -0.00     0.02   0.03   0.03    -0.02   0.01   0.04
    16   1     0.19  -0.42  -0.03     0.06   0.27   0.13    -0.06   0.13   0.02
    17   1    -0.12   0.25   0.03    -0.18   0.15  -0.01    -0.23   0.66   0.06
    18   1     0.45  -0.02   0.05     0.47   0.02   0.05     0.18  -0.05   0.00
    19   1     0.12  -0.03   0.01     0.12   0.06  -0.02    -0.21   0.07  -0.04
    20   1    -0.02   0.02  -0.01    -0.04  -0.11   0.02     0.09  -0.05   0.06
    21   1     0.01  -0.01   0.00     0.01  -0.07  -0.05    -0.04   0.04  -0.10
    22   1    -0.02   0.01  -0.01    -0.08   0.08  -0.05     0.04   0.06  -0.12
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1335.0554              1358.9384              1367.5134
 Red. masses --      1.5676                 3.2740                 1.6180
 Frc consts  --      1.6462                 3.5623                 1.7827
 IR Inten    --      2.2313                 5.1057                 4.5271
 RamAct Fr= 1--      2.5728                 9.8322                 7.4840
  Dep-P Fr= 1--      0.7347                 0.0881                 0.5248
  Dep-U Fr= 1--      0.8471                 0.1620                 0.6884
 Alpha2 Fr= 1--      0.0007                 0.1772                 0.0327
 Beta2  Fr= 1--      0.3632                 0.2654                 0.8586
 AlphaG Fr= 1--      0.0105                -0.0017                 0.0497
 Gamma2 Fr= 1--      0.5323                -0.3948                 1.4694
 Delta2 Fr= 1--     -0.1095                -0.3709                 0.7259
 Raman1 Fr= 1--      10.291                 39.329                 29.936
 ROA1   Fr= 1--      47.600                -49.768                164.294
 CID1   Fr= 1--       4.625                 -1.265                  5.488
 Raman2 Fr= 1--       4.359                  3.185                 10.304
 ROA2   Fr= 1--      13.652                 -6.508                 29.459
 CID2   Fr= 1--       3.132                 -2.043                  2.859
 Raman3 Fr= 1--       8.717                  6.370                 20.607
 ROA3   Fr= 1--      47.600                -49.768                164.294
 CID3   Fr= 1--       5.460                 -7.813                  7.973
 RC180  Fr= 1--       0.694                 -0.676                  0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.01     0.09  -0.12  -0.02     0.03  -0.01  -0.00
     2   6     0.02   0.01  -0.00    -0.01   0.17   0.01    -0.00   0.02   0.00
     3   6    -0.07  -0.03   0.01    -0.11  -0.02   0.01    -0.02  -0.02   0.00
     4   6    -0.05  -0.02  -0.00     0.21  -0.07  -0.03     0.01   0.02   0.00
     5   6     0.07   0.09   0.01     0.10   0.14   0.01    -0.02   0.04  -0.01
     6   6     0.02  -0.00  -0.00    -0.13  -0.06   0.01    -0.03  -0.02   0.00
     7   6    -0.09  -0.06   0.01    -0.13   0.00  -0.01     0.11  -0.14   0.02
     8   6     0.01  -0.04  -0.02     0.03   0.02   0.01    -0.04   0.11  -0.01
     9   6     0.09   0.02  -0.00    -0.15  -0.03   0.00    -0.02  -0.03  -0.01
    10   1    -0.26   0.17   0.04    -0.18   0.10   0.03    -0.01   0.02   0.00
    11   1     0.06   0.19   0.01    -0.12  -0.40  -0.02    -0.00  -0.00  -0.00
    12   1     0.36   0.13  -0.03    -0.18  -0.05   0.02     0.09   0.02  -0.01
    13   1    -0.36  -0.15   0.04     0.11   0.03  -0.00     0.01  -0.00  -0.01
    14   1     0.26   0.34   0.06     0.32  -0.04   0.08    -0.35   0.63  -0.11
    15   6     0.03   0.01   0.01     0.04   0.01  -0.02    -0.04   0.04   0.04
    16   1    -0.12   0.35   0.04     0.04  -0.04  -0.03     0.13  -0.26   0.00
    17   1    -0.01  -0.08  -0.02    -0.06  -0.03   0.02     0.16  -0.47  -0.08
    18   1    -0.26   0.02  -0.02     0.34  -0.04   0.01     0.00   0.04   0.02
    19   1    -0.28   0.00  -0.03     0.49   0.01   0.04     0.11  -0.01  -0.01
    20   1    -0.11  -0.03  -0.02    -0.10  -0.06  -0.04     0.07  -0.09   0.05
    21   1     0.02  -0.02  -0.02     0.06  -0.11   0.06    -0.06   0.00  -0.13
    22   1    -0.12   0.06  -0.00    -0.07  -0.01   0.09     0.06   0.06  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1413.0918              1483.8545              1491.6230
 Red. masses --      1.2311                 1.1182                 1.4232
 Frc consts  --      1.4484                 1.4506                 1.8656
 IR Inten    --      3.6476                 2.9737                 5.5882
 RamAct Fr= 1--      0.4492                12.4979                 4.2228
  Dep-P Fr= 1--      0.6680                 0.6164                 0.7276
  Dep-U Fr= 1--      0.8010                 0.7627                 0.8423
 Alpha2 Fr= 1--      0.0007                 0.0306                 0.0016
 Beta2  Fr= 1--      0.0600                 1.5886                 0.5928
 AlphaG Fr= 1--      0.0009                -0.0079                -0.0068
 Gamma2 Fr= 1--      0.0600                -2.1196                -3.3049
 Delta2 Fr= 1--     -0.0656                -1.4739                 1.2894
 Raman1 Fr= 1--       1.797                 49.992                 16.891
 ROA1   Fr= 1--       3.658               -250.644               -276.011
 CID1   Fr= 1--       2.036                 -5.014                -16.340
 Raman2 Fr= 1--       0.720                 19.064                  7.114
 ROA2   Fr= 1--       1.964                -39.079                -89.633
 CID2   Fr= 1--       2.730                 -2.050                -12.599
 Raman3 Fr= 1--       1.439                 38.127                 14.228
 ROA3   Fr= 1--       3.658               -250.644               -276.011
 CID3   Fr= 1--       2.542                 -6.574                -19.399
 RC180  Fr= 1--       0.602                  0.525                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.00     0.09  -0.03  -0.01
     2   6    -0.00   0.01   0.00     0.01   0.01  -0.00    -0.05  -0.08  -0.00
     3   6     0.01  -0.00  -0.00    -0.02  -0.02   0.00    -0.03   0.05   0.01
     4   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.00  -0.01
     5   6    -0.01   0.00   0.00     0.02  -0.02  -0.00    -0.04  -0.05   0.00
     6   6    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.01   0.05   0.01
     7   6    -0.00   0.01  -0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
     8   6    -0.00   0.01   0.00     0.04   0.01   0.02     0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.00     0.01  -0.07   0.01    -0.02   0.00  -0.00
    10   1     0.02  -0.02  -0.00     0.05  -0.04  -0.01    -0.25   0.26   0.05
    11   1    -0.01  -0.03  -0.00     0.01  -0.02  -0.00     0.01   0.34   0.02
    12   1    -0.03  -0.01   0.00     0.07   0.02  -0.01     0.01   0.07   0.00
    13   1     0.04   0.01  -0.00     0.09   0.03  -0.01    -0.06   0.05   0.01
    14   1    -0.00  -0.00  -0.01    -0.02  -0.02  -0.00     0.02   0.01  -0.00
    15   6     0.07  -0.10   0.06     0.00  -0.01  -0.00    -0.03  -0.04  -0.01
    16   1     0.03  -0.04   0.02    -0.16  -0.02  -0.35    -0.03   0.01  -0.06
    17   1     0.04  -0.03  -0.00    -0.36  -0.12   0.08    -0.06  -0.04   0.02
    18   1    -0.00   0.00  -0.00    -0.06   0.51   0.26     0.02  -0.04  -0.02
    19   1     0.03  -0.01   0.01    -0.02   0.36  -0.44     0.06  -0.02   0.03
    20   1    -0.35   0.45  -0.03     0.05   0.00   0.01     0.49   0.31   0.09
    21   1    -0.05   0.47  -0.32     0.00   0.06   0.06     0.03   0.04   0.45
    22   1    -0.36   0.22  -0.36    -0.06   0.01  -0.00    -0.08   0.14  -0.34
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1499.0883              1499.5237              1503.0984
 Red. masses --      1.1196                 1.3717                 1.1064
 Frc consts  --      1.4825                 1.8172                 1.4727
 IR Inten    --      2.6461                 2.2977                 9.0771
 RamAct Fr= 1--      7.2012                 5.4684                 6.4453
  Dep-P Fr= 1--      0.2617                 0.7087                 0.7487
  Dep-U Fr= 1--      0.4149                 0.8296                 0.8563
 Alpha2 Fr= 1--      0.0826                 0.0039                 0.0001
 Beta2  Fr= 1--      0.4980                 0.7560                 0.9198
 AlphaG Fr= 1--     -0.0774                 0.0027                -0.0008
 Gamma2 Fr= 1--      0.0732                 5.1857                -1.6391
 Delta2 Fr= 1--      0.7131                 0.5800                -0.8180
 Raman1 Fr= 1--      28.805                 21.873                 25.781
 ROA1   Fr= 1--      29.848                516.386               -183.532
 CID1   Fr= 1--       1.036                 23.608                 -7.119
 Raman2 Fr= 1--       5.976                  9.073                 11.038
 ROA2   Fr= 1--      -3.948                119.817                -32.795
 CID2   Fr= 1--      -0.661                 13.206                 -2.971
 Raman3 Fr= 1--      11.951                 18.145                 22.075
 ROA3   Fr= 1--      29.848                516.386               -183.532
 CID3   Fr= 1--       2.497                 28.459                 -8.314
 RC180  Fr= 1--      -0.170                  0.659                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.00    -0.08   0.01   0.01    -0.03   0.01   0.00
     2   6    -0.02  -0.02   0.00     0.04   0.08   0.00     0.02   0.02  -0.00
     3   6    -0.01   0.01   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6     0.03   0.00  -0.00    -0.06  -0.01   0.01    -0.02   0.01   0.00
     5   6    -0.00  -0.02  -0.00     0.03   0.05   0.00     0.03   0.01  -0.00
     6   6    -0.01   0.02   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     7   6    -0.02   0.02   0.01    -0.03  -0.03  -0.01    -0.02  -0.00   0.01
     8   6    -0.05  -0.02  -0.02    -0.03  -0.00  -0.01     0.04   0.01   0.01
     9   6    -0.01  -0.04   0.01     0.02  -0.01  -0.00     0.01   0.02  -0.00
    10   1    -0.08   0.08   0.02     0.17  -0.21  -0.03     0.09  -0.08  -0.02
    11   1     0.00   0.10   0.01    -0.03  -0.33  -0.02     0.01  -0.09  -0.01
    12   1     0.00   0.02   0.00    -0.06  -0.08   0.00     0.03  -0.01  -0.00
    13   1    -0.03   0.01   0.00    -0.01  -0.06  -0.00     0.03  -0.01  -0.01
    14   1     0.04  -0.06   0.03     0.03   0.05  -0.00     0.04  -0.01   0.03
    15   6    -0.01   0.01   0.02    -0.02  -0.02  -0.02    -0.03   0.00   0.03
    16   1     0.16   0.03   0.38     0.12   0.02   0.26    -0.13   0.02  -0.27
    17   1     0.38   0.15  -0.08     0.27   0.10  -0.05    -0.28  -0.13   0.06
    18   1    -0.02   0.30   0.15    -0.02   0.11   0.05    -0.00  -0.16  -0.08
    19   1     0.02   0.22  -0.27    -0.02   0.06  -0.09    -0.02  -0.12   0.15
    20   1    -0.15   0.20  -0.02     0.46   0.22   0.08    -0.00   0.40   0.02
    21   1    -0.01  -0.32  -0.24     0.04   0.04   0.46     0.00  -0.42  -0.14
    22   1     0.36  -0.04  -0.16    -0.12   0.12  -0.26     0.45   0.03  -0.39
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1515.4996              1628.0046              1650.5991
 Red. masses --      2.3931                 6.2034                 6.3481
 Frc consts  --      3.2383                 9.6871                10.1900
 IR Inten    --     16.8126                 0.4329                 1.1794
 RamAct Fr= 1--      1.1612                11.8422                20.2394
  Dep-P Fr= 1--      0.5079                 0.6473                 0.7443
  Dep-U Fr= 1--      0.6737                 0.7859                 0.8534
 Alpha2 Fr= 1--      0.0055                 0.0219                 0.0020
 Beta2  Fr= 1--      0.1304                 1.5511                 2.8787
 AlphaG Fr= 1--     -0.0076                -0.0213                 0.0083
 Gamma2 Fr= 1--      0.1840                 0.0566                -0.0394
 Delta2 Fr= 1--     -0.0174                -0.5399                 0.0301
 Raman1 Fr= 1--       4.645                 47.369                 80.958
 ROA1   Fr= 1--      17.111                -11.846                 -2.824
 CID1   Fr= 1--       3.684                 -0.250                 -0.035
 Raman2 Fr= 1--       1.565                 18.613                 34.544
 ROA2   Fr= 1--       4.556                  5.677                 -1.187
 CID2   Fr= 1--       2.912                  0.305                 -0.034
 Raman3 Fr= 1--       3.129                 37.226                 69.089
 ROA3   Fr= 1--      17.111                -11.846                 -2.824
 CID3   Fr= 1--       5.468                 -0.318                 -0.041
 RC180  Fr= 1--       0.347                  0.572                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.00     0.18  -0.28  -0.04     0.20  -0.01  -0.02
     2   6     0.07  -0.03  -0.01    -0.03   0.34   0.03    -0.14  -0.12   0.01
     3   6    -0.15  -0.07   0.01     0.09  -0.14  -0.02     0.33   0.11  -0.03
     4   6     0.02   0.17   0.01    -0.19   0.23   0.04    -0.29  -0.03   0.03
     5   6     0.13  -0.10  -0.02    -0.00  -0.31  -0.02     0.23   0.16  -0.01
     6   6    -0.15  -0.06   0.01    -0.01   0.17   0.01    -0.32  -0.13   0.03
     7   6    -0.03   0.03   0.00     0.01   0.03   0.00    -0.03  -0.02   0.00
     8   6    -0.02  -0.01  -0.01     0.02   0.00  -0.00     0.00  -0.01  -0.00
     9   6    -0.00  -0.02  -0.01     0.03  -0.01  -0.01     0.04   0.01  -0.00
    10   1     0.24  -0.09  -0.03    -0.39   0.18   0.06    -0.05   0.21   0.02
    11   1     0.12   0.17  -0.00    -0.17  -0.42  -0.01    -0.11   0.18   0.02
    12   1     0.50   0.19  -0.04    -0.02  -0.20  -0.01    -0.41  -0.18   0.03
    13   1     0.52   0.19  -0.04    -0.18   0.12   0.03     0.43   0.15  -0.03
    14   1    -0.04  -0.04  -0.00    -0.04  -0.04  -0.01    -0.02   0.02  -0.00
    15   6    -0.00  -0.01  -0.01    -0.01  -0.00   0.00     0.00   0.01  -0.00
    16   1     0.08   0.01   0.17     0.02   0.01   0.00    -0.01   0.03   0.00
    17   1     0.17   0.07  -0.03    -0.01  -0.00   0.00    -0.01   0.03   0.00
    18   1    -0.06  -0.14  -0.06    -0.05  -0.07  -0.04    -0.00   0.02   0.01
    19   1    -0.11  -0.14   0.11    -0.14  -0.09   0.07    -0.08  -0.00  -0.01
    20   1     0.07  -0.02   0.01    -0.01  -0.02   0.00     0.03   0.01   0.00
    21   1     0.00   0.06   0.09    -0.01   0.02  -0.04     0.01  -0.04   0.05
    22   1    -0.07   0.01   0.02     0.03  -0.02   0.03    -0.01   0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   2975.1996              3010.4162              3027.1549
 Red. masses --      1.0817                 1.0712                 1.0386
 Frc consts  --      5.6412                 5.7196                 5.6073
 IR Inten    --     22.0783                29.9334                13.4248
 RamAct Fr= 1--    175.8744               189.2493               112.6521
  Dep-P Fr= 1--      0.1910                 0.1598                 0.0312
  Dep-U Fr= 1--      0.3207                 0.2756                 0.0605
 Alpha2 Fr= 1--      2.4459                 2.8535                 2.3267
 Beta2  Fr= 1--      9.4013                 8.6917                 1.1361
 AlphaG Fr= 1--      0.0531                -0.0970                -0.0704
 Gamma2 Fr= 1--      5.5265                -6.1706                 4.3068
 Delta2 Fr= 1--      1.7906                 4.6909                 3.5419
 Raman1 Fr= 1--     703.498                756.997                450.608
 ROA1   Fr= 1--     587.844               -442.272                526.794
 CID1   Fr= 1--       0.836                 -0.584                  1.169
 Raman2 Fr= 1--     112.816                104.300                 13.633
 ROA2   Fr= 1--     118.312               -185.622                 75.027
 CID2   Fr= 1--       1.049                 -1.780                  5.503
 Raman3 Fr= 1--     225.632                208.600                 27.266
 ROA3   Fr= 1--     587.844               -442.272                526.794
 CID3   Fr= 1--       2.605                 -2.120                 19.321
 RC180  Fr= 1--      -0.359                 -0.449                 -0.879
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.08    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01     0.01   0.00   0.02
     9   6    -0.00   0.00  -0.00     0.00   0.05  -0.06     0.00  -0.01   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    14   1    -0.19   0.05   0.96     0.01  -0.00  -0.04     0.00   0.00  -0.02
    15   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.03
    16   1     0.04   0.01  -0.02     0.04   0.02  -0.02    -0.11  -0.05   0.07
    17   1    -0.02   0.01  -0.11    -0.03   0.01  -0.14    -0.05   0.02  -0.32
    18   1    -0.00  -0.01   0.02    -0.04  -0.39   0.87     0.00   0.02  -0.06
    19   1    -0.00   0.00   0.00     0.02  -0.14  -0.16    -0.00   0.05   0.05
    20   1     0.02  -0.00  -0.08    -0.01   0.00   0.03    -0.12   0.01   0.57
    21   1     0.03   0.01  -0.00     0.02   0.00  -0.00     0.53   0.06  -0.07
    22   1    -0.01  -0.03  -0.01    -0.00  -0.01  -0.01    -0.14  -0.42  -0.19
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3032.3421              3072.4018              3087.7679
 Red. masses --      1.0614                 1.0903                 1.1012
 Frc consts  --      5.7504                 6.0640                 6.1862
 IR Inten    --     48.5007                32.5621                 3.5992
 RamAct Fr= 1--    136.9441               151.2181                50.2046
  Dep-P Fr= 1--      0.0818                 0.2186                 0.6201
  Dep-U Fr= 1--      0.1512                 0.3588                 0.7655
 Alpha2 Fr= 1--      2.5065                 1.9537                 0.1193
 Beta2  Fr= 1--      3.4504                 9.0433                 6.4053
 AlphaG Fr= 1--      0.1554                -1.8051                 0.0519
 Gamma2 Fr= 1--     -6.4896               -13.6868               -49.9085
 Delta2 Fr= 1--     -8.4367                -8.2991               -34.9909
 Raman1 Fr= 1--     547.777                604.872                200.818
 ROA1   Fr= 1--    -892.980              -1579.504              -5910.928
 CID1   Fr= 1--      -1.630                 -2.611                -29.434
 Raman2 Fr= 1--      41.405                108.520                 76.864
 ROA2   Fr= 1--     -88.258               -262.090               -917.878
 CID2   Fr= 1--      -2.132                 -2.415                -11.942
 Raman3 Fr= 1--      82.810                217.039                153.728
 ROA3   Fr= 1--    -892.980              -1579.504              -5910.928
 CID3   Fr= 1--     -10.783                 -7.278                -38.451
 RC180  Fr= 1--      -0.698                 -0.282                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.03  -0.01  -0.05    -0.02  -0.01   0.00    -0.04  -0.02   0.05
     9   6    -0.00   0.01   0.01     0.01  -0.05  -0.07    -0.00   0.00   0.02
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    13   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.00   0.07     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    15   6    -0.01   0.01  -0.01     0.00   0.00  -0.00     0.04  -0.00  -0.05
    16   1     0.27   0.12  -0.17     0.20   0.08  -0.11     0.54   0.23  -0.29
    17   1     0.14  -0.05   0.82     0.01  -0.01   0.09    -0.05   0.01  -0.25
    18   1    -0.00  -0.02   0.06    -0.01  -0.10   0.17     0.00   0.05  -0.09
    19   1     0.01  -0.13  -0.13    -0.08   0.69   0.63     0.01  -0.10  -0.09
    20   1    -0.04   0.00   0.20    -0.00  -0.00   0.02    -0.09   0.01   0.49
    21   1     0.21   0.02  -0.03    -0.00  -0.00   0.00    -0.47  -0.05   0.05
    22   1    -0.06  -0.20  -0.08    -0.00  -0.01  -0.00     0.03   0.06   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9642              3093.2323              3160.9321
 Red. masses --      1.1009                 1.1013                 1.0856
 Frc consts  --      6.1929                 6.2082                 6.3910
 IR Inten    --     54.3604                47.0453                 5.9444
 RamAct Fr= 1--    151.9303                86.9576                32.7363
  Dep-P Fr= 1--      0.5894                 0.4491                 0.6251
  Dep-U Fr= 1--      0.7417                 0.6199                 0.7693
 Alpha2 Fr= 1--      0.4548                 0.5349                 0.0746
 Beta2  Fr= 1--     18.7806                 8.9837                 4.1972
 AlphaG Fr= 1--      0.6376                -0.6940                -0.0333
 Gamma2 Fr= 1--     11.7578                47.8450                -0.0621
 Delta2 Fr= 1--      1.3295                41.8107                 0.5984
 Raman1 Fr= 1--     607.721                347.830                130.945
 ROA1   Fr= 1--    1171.287               5931.063                 13.190
 CID1   Fr= 1--       1.927                 17.052                  0.101
 Raman2 Fr= 1--     225.368                107.805                 50.367
 ROA2   Fr= 1--     271.551                813.794                 -6.277
 CID2   Fr= 1--       1.205                  7.549                 -0.125
 Raman3 Fr= 1--     450.735                215.610                100.733
 ROA3   Fr= 1--    1171.287               5931.063                 13.190
 CID3   Fr= 1--       2.599                 27.508                  0.131
 RC180  Fr= 1--       0.483                  0.240                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.03  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04   0.01   0.01
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.01
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   6    -0.03  -0.01   0.03     0.03   0.01  -0.03     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.26  -0.31   0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.49  -0.08  -0.06
    12   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.23   0.62   0.08
    13   1     0.01  -0.02  -0.00     0.01  -0.02  -0.00    -0.12   0.33   0.04
    14   1     0.01  -0.00  -0.04    -0.02   0.01   0.11    -0.00   0.00   0.00
    15   6    -0.07  -0.05  -0.00     0.00  -0.04  -0.07    -0.00  -0.00  -0.00
    16   1     0.34   0.14  -0.18    -0.38  -0.16   0.20    -0.00  -0.00   0.00
    17   1    -0.03   0.01  -0.15     0.04  -0.01   0.21     0.00   0.00   0.00
    18   1     0.00   0.03  -0.05    -0.00  -0.03   0.06     0.00   0.00  -0.00
    19   1     0.01  -0.05  -0.05    -0.01   0.06   0.05     0.00   0.01   0.01
    20   1     0.00  -0.01  -0.10    -0.12  -0.01   0.57    -0.00  -0.00   0.00
    21   1     0.65   0.06  -0.09    -0.09  -0.02  -0.00     0.00   0.00  -0.00
    22   1     0.16   0.53   0.23     0.17   0.53   0.21     0.00   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3167.0193              3178.1278              3191.0599
 Red. masses --      1.0880                 1.0920                 1.0966
 Frc consts  --      6.4296                 6.4987                 6.5791
 IR Inten    --      2.1158                28.2482                22.0176
 RamAct Fr= 1--    137.8198                62.6034               310.0973
  Dep-P Fr= 1--      0.5552                 0.7442                 0.1005
  Dep-U Fr= 1--      0.7140                 0.8533                 0.1826
 Alpha2 Fr= 1--      0.5115                 0.0062                 5.4230
 Beta2  Fr= 1--     16.4003                 8.9035                 9.4376
 AlphaG Fr= 1--      0.0013                -0.0178                 0.2589
 Gamma2 Fr= 1--      0.5595                -0.3346                 2.2987
 Delta2 Fr= 1--      0.4573                -2.9033                 2.4174
 Raman1 Fr= 1--     551.279                250.414               1240.389
 ROA1   Fr= 1--      68.347               -125.030                298.035
 CID1   Fr= 1--       0.124                 -0.499                  0.240
 Raman2 Fr= 1--     196.804                106.842                113.251
 ROA2   Fr= 1--       9.771                 15.195                 35.831
 CID2   Fr= 1--       0.050                  0.142                  0.316
 Raman3 Fr= 1--     393.608                213.685                226.502
 ROA3   Fr= 1--      68.347               -125.030                298.035
 CID3   Fr= 1--       0.174                 -0.585                  1.316
 RC180  Fr= 1--       0.428                  0.707                 -0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.00     0.03   0.03  -0.00    -0.04  -0.05   0.00
     2   6     0.01  -0.00  -0.00    -0.05   0.01   0.01    -0.06   0.01   0.01
     3   6    -0.02   0.05   0.01    -0.01   0.03   0.00    -0.01   0.02   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.02   0.04   0.01     0.01  -0.02  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   1    -0.28  -0.34   0.01    -0.30  -0.35   0.01     0.42   0.50  -0.01
    11   1    -0.09   0.02   0.01     0.55  -0.09  -0.07     0.63  -0.10  -0.08
    12   1     0.20  -0.52  -0.06     0.14  -0.38  -0.05     0.08  -0.23  -0.03
    13   1    -0.23   0.65   0.07     0.18  -0.51  -0.06    -0.10   0.28   0.03
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.01   0.02   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   754.660911465.567862134.52425
           X            0.99990  -0.01400   0.00153
           Y            0.01401   0.99990  -0.00236
           Z           -0.00150   0.00238   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11477     0.05910     0.04058
 Rotational constants (GHZ):           2.39146     1.23143     0.84550
 Zero-point vibrational energy     504249.2 (Joules/Mol)
                                  120.51845 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.01   214.52   304.21   342.74   380.22
          (Kelvin)            571.91   609.32   660.34   748.09   768.79
                              853.78   894.16  1054.05  1081.05  1104.70
                             1172.50  1234.12  1268.81  1321.23  1346.69
                             1383.98  1395.29  1414.20  1492.31  1515.07
                             1586.09  1591.81  1626.48  1701.10  1704.54
                             1718.16  1752.08  1787.75  1866.12  1878.97
                             1905.96  1920.85  1955.21  1967.55  2033.12
                             2134.94  2146.11  2156.85  2157.48  2162.62
                             2180.47  2342.34  2374.84  4280.65  4331.32
                             4355.40  4362.86  4420.50  4442.61  4445.77
                             4450.47  4547.88  4556.63  4572.62  4591.22
 
 Zero-point correction=                           0.192058 (Hartree/Particle)
 Thermal correction to Energy=                    0.200364
 Thermal correction to Enthalpy=                  0.201308
 Thermal correction to Gibbs Free Energy=         0.159215
 Sum of electronic and zero-point Energies=           -388.292300
 Sum of electronic and thermal Energies=              -388.283994
 Sum of electronic and thermal Enthalpies=            -388.283050
 Sum of electronic and thermal Free Energies=         -388.325143
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.730             33.807             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.247
 Vibrational            123.953             27.846             18.798
 Vibration     1          0.605              1.944              3.334
 Vibration     2          0.618              1.904              2.684
 Vibration     3          0.643              1.823              2.031
 Vibration     4          0.656              1.782              1.816
 Vibration     5          0.671              1.738              1.633
 Vibration     6          0.764              1.475              0.972
 Vibration     7          0.786              1.419              0.880
 Vibration     8          0.817              1.341              0.769
 Vibration     9          0.875              1.206              0.610
 Vibration    10          0.889              1.174              0.578
 Vibration    11          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.583844D-73        -73.233703       -168.626833
 Total V=0       0.127920D+16         15.106939         34.785013
 Vib (Bot)       0.177887D-86        -86.749856       -199.748926
 Vib (Bot)    1  0.192730D+01          0.284950          0.656122
 Vib (Bot)    2  0.136029D+01          0.133631          0.307697
 Vib (Bot)    3  0.938816D+00         -0.027420         -0.063136
 Vib (Bot)    4  0.823777D+00         -0.084190         -0.193855
 Vib (Bot)    5  0.733437D+00         -0.134637         -0.310013
 Vib (Bot)    6  0.449216D+00         -0.347545         -0.800251
 Vib (Bot)    7  0.413505D+00         -0.383520         -0.883086
 Vib (Bot)    8  0.370916D+00         -0.430725         -0.991781
 Vib (Bot)    9  0.310454D+00         -0.508003         -1.169720
 Vib (Bot)   10  0.298092D+00         -0.525649         -1.210352
 Vib (Bot)   11  0.253337D+00         -0.596301         -1.373035
 Vib (V=0)       0.389750D+02          1.590786          3.662920
 Vib (V=0)    1  0.249110D+01          0.396392          0.912726
 Vib (V=0)    2  0.194927D+01          0.289872          0.667455
 Vib (V=0)    3  0.156366D+01          0.194143          0.447030
 Vib (V=0)    4  0.146364D+01          0.165435          0.380929
 Vib (V=0)    5  0.138765D+01          0.142281          0.327615
 Vib (V=0)    6  0.117216D+01          0.068986          0.158846
 Vib (V=0)    7  0.114883D+01          0.060257          0.138748
 Vib (V=0)    8  0.112256D+01          0.050209          0.115610
 Vib (V=0)    9  0.108854D+01          0.036845          0.084839
 Vib (V=0)   10  0.108212D+01          0.034274          0.078918
 Vib (V=0)   11  0.106052D+01          0.025518          0.058757
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.550016D+06          5.740375         13.217702
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333333332                                                   11111111111111111111 11111                                         
   111100000009                                                   66555444433333222111 111009999988 8777    65 55 4 43    222  11    
   976699873217                                                   52100998165320941988 300538763185 1653    29 32 5 29    631  40    
   187130822705                                                   18530924389556738452 062373026828 5813    13 40 9 37    481  96    
 
   XXXXXXXXXXXX                                                   XXXXXXXXXXXXXXXX XXX XXXXXXX XXXX XXXX    XX XX X XX    X X  X     
   XX XXX XXXXX                                                     XX  X  XX                        XX           X                  
   XX  XX XXXXX                                                     XX                               XX                              
   XX  XX XXXXX                                                     X                                XX                              
   XX  XX XXXXX                                                     X                                XX                              
   XX  XX XX XX                                                     X                                XX                              
   XX  XX XX XX                                                                                      XX                              
   XX  XX XX XX                                                                                      X                               
    X  XX XX X                                                                                       X                               
    X  XX XX X                                                                                       X                               
       XX XX X                                                                                       X                               
       XX XX                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                                                         
       XX  X                                                                                                                         
       XX  X                                                                                                                         
        X  X                                                                                                                         
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002085   -0.000006530    0.000001263
      2        6           0.000006560   -0.000001017   -0.000006946
      3        6           0.000000078   -0.000004377    0.000003077
      4        6           0.000002773    0.000008929    0.000000518
      5        6          -0.000015820    0.000013508    0.000003209
      6        6          -0.000001967    0.000001316   -0.000001321
      7        6           0.000009431   -0.000006724    0.000002191
      8        6           0.000000702    0.000001906    0.000003993
      9        6          -0.000001293   -0.000007184   -0.000000782
     10        1          -0.000000442   -0.000000205    0.000000005
     11        1           0.000000225   -0.000000429    0.000000023
     12        1           0.000000010    0.000000447   -0.000000414
     13        1           0.000001297   -0.000000295   -0.000001106
     14        1           0.000000957   -0.000000083   -0.000000071
     15        6          -0.000003738   -0.000000406    0.000000295
     16        1          -0.000000323    0.000001379   -0.000000358
     17        1          -0.000000835    0.000000397   -0.000003222
     18        1           0.000001117   -0.000000020   -0.000000430
     19        1          -0.000001342   -0.000000500   -0.000001205
     20        1           0.000001368   -0.000001377    0.000000185
     21        1           0.000000210    0.000000992    0.000000039
     22        1           0.000003118    0.000000275    0.000001056
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000015820 RMS     0.000003841
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143571D+03  0.182749D+01 -0.351309D+01
      2   0.182749D+01  0.126122D+03  0.156966D+01
      3  -0.351309D+01  0.156966D+01  0.793237D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.374080D+00  0.966073D+00  0.130440D+01
      2   0.100325D+02 -0.551134D+01  0.144562D+02
      3   0.407344D+00  0.309934D+02  0.507007D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.728877D+02 -0.152626D+02  0.141337D+02
      2   0.368797D+02  0.131050D+01 -0.134200D+02
      3   0.360080D+02  0.139521D+02 -0.713695D+00
      4  -0.270162D+02 -0.318293D+02 -0.105818D+02
      5   0.151015D+02 -0.135225D+02  0.360164D+02
      6  -0.716824D+01 -0.133312D+01  0.201691D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.753508D-01 -0.966620D+00 -0.613177D+00 -0.440335D+01  0.709968D-01
      2  -0.966620D+00 -0.194592D+01 -0.539108D+00  0.709968D-01 -0.225691D+01
      3  -0.613177D+00 -0.539108D+00 -0.132212D+01  0.515831D+00  0.398958D+00
                 6             7             8             9            10 
      1   0.515831D+00 -0.116403D+01 -0.519302D-01 -0.335451D+01 -0.410969D+01
      2   0.398958D+00 -0.519302D-01  0.415485D+00 -0.349575D+01  0.671034D+00
      3  -0.212503D+01 -0.335451D+01 -0.349575D+01  0.153726D+00 -0.558478D+00
                11            12            13            14            15 
      1   0.671034D+00 -0.558478D+00  0.105321D+01  0.183652D+01  0.348009D+00
      2  -0.244305D+01 -0.230714D-01  0.183652D+01  0.225899D+01 -0.313316D+00
      3  -0.230714D-01 -0.221544D+01  0.348009D+00 -0.313316D+00  0.594712D+00
                16            17            18            19            20 
      1  -0.686786D+00  0.569721D+00 -0.492375D+01  0.955572D+00 -0.279253D+01
      2   0.569721D+00  0.215996D+00  0.591394D+00 -0.279253D+01 -0.346595D+01
      3  -0.492375D+01  0.591394D+00  0.122790D+01 -0.338226D+00  0.555433D+00
                21            22            23            24            25 
      1  -0.338226D+00  0.466112D+01 -0.198871D+00 -0.515105D-01  0.578583D-01
      2   0.555433D+00 -0.198871D+00  0.297987D+00 -0.411159D+00  0.916678D+00
      3  -0.538863D+00 -0.515105D-01 -0.411159D+00  0.204068D+01 -0.235713D+01
                26            27            28            29            30 
      1   0.916678D+00 -0.235713D+01  0.683490D+00  0.272865D+01 -0.173512D+00
      2  -0.517393D+00  0.334371D+01  0.272865D+01  0.676702D+01 -0.135061D+00
      3   0.334371D+01  0.125786D+01 -0.173512D+00 -0.135061D+00  0.137839D+01
                31            32            33            34            35 
      1   0.109175D+02  0.403395D+01 -0.815314D+00  0.164744D+01 -0.290686D+00
      2   0.403395D+01  0.608182D+01 -0.398579D+00 -0.290686D+00 -0.252982D+00
      3  -0.815314D+00 -0.398579D+00  0.125758D+01  0.159739D+01  0.279905D+01
                36            37            38            39            40 
      1   0.159739D+01  0.141212D+02 -0.179870D+01 -0.168708D+01 -0.572460D+01
      2   0.279905D+01 -0.179870D+01  0.354249D+01  0.150624D+00 -0.309020D+01
      3  -0.456622D-01 -0.168708D+01  0.150624D+00  0.180293D+01 -0.142169D+00
                41            42            43            44            45 
      1  -0.309020D+01 -0.142169D+00 -0.129512D+01 -0.389701D+00  0.299786D+01
      2  -0.668316D+00  0.518037D+00 -0.389701D+00  0.389067D+00 -0.725341D+00
      3   0.518037D+00  0.241388D+00  0.299786D+01 -0.725341D+00 -0.126258D+01
                46            47            48            49            50 
      1  -0.136926D+01  0.310804D+01  0.261369D+00 -0.519942D+01  0.620855D+00
      2   0.310804D+01  0.178011D+01 -0.433900D+00  0.620855D+00 -0.159053D+01
      3   0.261369D+00 -0.433900D+00  0.767469D+00  0.152119D+00  0.310443D+00
                51            52            53            54            55 
      1   0.152119D+00  0.547595D-01 -0.535855D+00  0.384670D+00 -0.344514D+01
      2   0.310443D+00 -0.535855D+00  0.116950D+00 -0.391023D+01  0.220275D+01
      3  -0.205458D+01  0.384670D+00 -0.391023D+01 -0.122949D+01  0.928497D+00
                56            57            58            59            60 
      1   0.220275D+01  0.928497D+00  0.295590D+01 -0.335953D+01  0.319762D+00
      2  -0.239606D+01  0.985118D-01 -0.335953D+01 -0.224207D+01 -0.158847D+01
      3   0.985118D-01 -0.166932D+01  0.319762D+00 -0.158847D+01  0.556612D+00
                61            62            63            64            65 
      1   0.264860D+01  0.214333D+00 -0.346334D+01 -0.387390D+01 -0.365110D+01
      2   0.214333D+00 -0.224957D+01  0.467061D+00 -0.365110D+01  0.103558D+01
      3  -0.346334D+01  0.467061D+00  0.809740D+01  0.219110D+01  0.709518D+00
                66            67            68            69            70 
      1   0.219110D+01 -0.380541D+01  0.865486D+00  0.864920D+00  0.323204D+01
      2   0.709518D+00  0.865486D+00  0.279593D+01  0.144002D+01  0.150477D+01
      3  -0.146274D+01  0.864920D+00  0.144002D+01  0.387230D+00 -0.236174D+01
                71            72            73            74            75 
      1   0.150477D+01 -0.236174D+01 -0.221115D+01  0.102906D+01 -0.198651D+00
      2   0.167651D+01  0.196366D+00  0.102906D+01 -0.195364D+01  0.837175D+00
      3   0.196366D+00 -0.596314D+01 -0.198651D+00  0.837175D+00  0.260191D-01
                76            77            78            79            80 
      1   0.480154D+00 -0.356747D+01  0.864172D+00  0.423599D+00  0.163881D+01
      2  -0.356747D+01 -0.763811D+01 -0.639456D+00  0.163881D+01 -0.174759D+00
      3   0.864172D+00 -0.639456D+00 -0.347082D+01 -0.141506D+01 -0.593046D+01
                81            82            83            84            85 
      1  -0.141506D+01 -0.578799D+01 -0.430657D+01  0.161614D+00 -0.404615D+01
      2  -0.593046D+01 -0.430657D+01 -0.374200D+01  0.158978D+00 -0.468985D+01
      3   0.330539D+01  0.161614D+00  0.158978D+00 -0.659246D+00 -0.418749D-01
                86            87            88            89            90 
      1  -0.468985D+01 -0.418749D-01  0.328494D+00  0.159289D+00 -0.131724D+00
      2  -0.664617D+01  0.747302D-02  0.159289D+00  0.590037D-02 -0.135044D+00
      3   0.747302D-02 -0.757111D+00 -0.131724D+00 -0.135044D+00 -0.155795D-02
                91            92            93            94            95 
      1  -0.136602D+02  0.138881D+01  0.140059D+01  0.149749D+01 -0.179583D+01
      2   0.138881D+01 -0.904765D+00 -0.154190D+00 -0.179583D+01  0.565403D+00
      3   0.140059D+01 -0.154190D+00 -0.114701D+01 -0.311420D+00  0.209621D+00
                96            97            98            99           100 
      1  -0.311420D+00  0.167082D+01 -0.340565D+00 -0.278593D+00 -0.228697D+01
      2   0.209621D+00 -0.340565D+00  0.197370D+00  0.688345D-01  0.250531D+01
      3   0.197850D+00 -0.278593D+00  0.688345D-01  0.197527D+00  0.357750D+00
               101           102           103           104           105 
      1   0.250531D+01  0.357750D+00  0.238982D+01 -0.370583D+01 -0.373678D+00
      2  -0.264784D+01 -0.389496D+00 -0.370583D+01  0.919435D+01  0.914552D+00
      3  -0.389496D+00 -0.426314D+00 -0.373678D+00  0.914552D+00  0.102234D+01
               106           107           108           109           110 
      1   0.382532D+00 -0.550551D+00 -0.219814D+00  0.130551D+01 -0.172953D+01
      2  -0.550551D+00  0.111117D+01  0.361101D+00 -0.172953D+01  0.188551D+01
      3  -0.219814D+00  0.361101D+00  0.198311D+00 -0.142711D+00  0.287481D+00
               111           112           113           114           115 
      1  -0.142711D+00 -0.135936D+01  0.171354D+01  0.121163D+00 -0.198900D+00
      2   0.287481D+00  0.171354D+01 -0.939977D+01 -0.889528D+00  0.283910D+00
      3   0.243059D+00  0.121163D+00 -0.889528D+00 -0.945037D+00 -0.584696D-02
               116           117           118           119           120 
      1   0.283910D+00 -0.584696D-02  0.248127D+01 -0.613879D+00 -0.201186D+01
      2  -0.908207D+00 -0.214485D+00 -0.613879D+00  0.726395D+00  0.126930D+00
      3  -0.214485D+00 -0.185690D+00 -0.201186D+01  0.126930D+00  0.170765D+01
               121           122           123           124           125 
      1  -0.100298D+01  0.154437D+01  0.156153D+00 -0.507042D+01  0.525582D+00
      2   0.154437D+01 -0.338994D+00 -0.109274D+01  0.525582D+00 -0.111204D+01
      3   0.156153D+00 -0.109274D+01 -0.362087D+00  0.368636D+01 -0.721626D+00
               126           127           128           129           130 
      1   0.368636D+01 -0.770568D+01 -0.742811D+00  0.130392D+01 -0.360987D+01
      2  -0.721626D+00 -0.742811D+00  0.293774D+01 -0.285947D+00  0.316075D+01
      3  -0.926499D+01  0.130392D+01 -0.285947D+00  0.153710D+01 -0.495313D+00
               131           132           133           134           135 
      1   0.316075D+01 -0.495313D+00  0.212484D+01 -0.106349D+01  0.117594D+01
      2   0.286550D+01  0.267883D+01 -0.106349D+01  0.312988D+01  0.650933D+00
      3   0.267883D+01  0.225142D+00  0.117594D+01  0.650933D+00 -0.602209D+01
               136           137           138           139           140 
      1   0.927720D+01  0.331485D+01 -0.184847D+01  0.293133D+01  0.224039D+01
      2   0.331485D+01  0.198272D+01 -0.641041D+00  0.224039D+01  0.178490D+01
      3  -0.184847D+01 -0.641041D+00  0.135886D+01 -0.623998D+00 -0.816989D+00
               141           142           143           144           145 
      1  -0.623998D+00 -0.361586D+01 -0.125033D+01  0.215187D+01  0.160214D+01
      2  -0.816989D+00 -0.125033D+01 -0.131080D+01  0.848832D+00  0.549494D+00
      3   0.499883D+00  0.215187D+01  0.848832D+00 -0.786365D+00  0.136548D+01
               146           147           148           149           150 
      1   0.549494D+00  0.136548D+01  0.191151D+00  0.477343D+00 -0.150992D+00
      2   0.520420D-02  0.126476D+00  0.477343D+00 -0.240360D+00  0.795570D+00
      3   0.126476D+00  0.970910D+00 -0.150992D+00  0.795570D+00 -0.306106D+00
               151           152           153           154           155 
      1   0.214474D+01  0.147013D-01  0.293339D+01  0.997659D+00  0.812422D+00
      2   0.147013D-01  0.137786D+01  0.603989D+00  0.812422D+00  0.203803D+00
      3   0.293339D+01  0.603989D+00  0.732905D+01 -0.108091D+01 -0.310250D+00
               156           157           158           159           160 
      1  -0.108091D+01  0.815748D+00  0.160198D+01 -0.581590D+00 -0.266541D+01
      2  -0.310250D+00  0.160198D+01  0.547386D+01 -0.265089D+01 -0.191091D+01
      3   0.286590D+00 -0.581590D+00 -0.265089D+01  0.229925D+01  0.130580D+01
               161           162           163           164           165 
      1  -0.191091D+01  0.130580D+01 -0.192881D+00  0.780744D+00  0.769869D+00
      2  -0.497567D+01  0.479972D+01  0.780744D+00 -0.745103D+00 -0.193166D+00
      3   0.479972D+01 -0.626180D+01  0.769869D+00 -0.193166D+00 -0.133346D+00
               166           167           168           169           170 
      1   0.128913D+01  0.118647D+01  0.175200D+00  0.106923D+01  0.338050D+00
      2   0.118647D+01  0.885248D+01  0.274363D+01  0.338050D+00  0.455540D+01
      3   0.175200D+00  0.274363D+01  0.207889D+01  0.512084D+00  0.353577D+01
               171           172           173           174           175 
      1   0.512084D+00  0.217648D+00  0.829992D-01  0.751647D+00  0.682063D+00
      2   0.353577D+01  0.829992D-01 -0.745863D+00  0.199845D+00 -0.326455D+00
      3   0.219970D+01  0.751647D+00  0.199845D+00 -0.106453D+01  0.595650D-01
               176           177           178           179           180 
      1  -0.326455D+00  0.595650D-01  0.144531D+01 -0.495285D+00  0.629599D+00
      2  -0.572312D+00  0.749998D+00 -0.495285D+00  0.147577D+01 -0.139582D+01
      3   0.749998D+00 -0.144708D+00  0.629599D+00 -0.139582D+01  0.759372D+01
               181           182           183           184           185 
      1   0.127762D+02 -0.185663D+01 -0.316578D+00  0.568750D+00  0.968257D+00
      2  -0.185663D+01  0.140688D+01 -0.719043D-01  0.968257D+00 -0.385840D+00
      3  -0.316578D+00 -0.719043D-01  0.106323D+01  0.824865D-01 -0.383956D+00
               186           187           188           189           190 
      1   0.824865D-01 -0.138445D+01  0.303424D+00  0.127430D+01  0.149581D+00
      2  -0.383956D+00  0.303424D+00 -0.750774D+00 -0.242361D+00 -0.715808D+00
      3   0.134389D+00  0.127430D+01 -0.242361D+00  0.124375D+00 -0.522182D+00
               191           192           193           194           195 
      1  -0.715808D+00 -0.522182D+00 -0.128224D+01  0.413133D+00 -0.715199D-01
      2  -0.128325D+01 -0.738394D-01  0.413133D+00 -0.819186D+01 -0.158205D+01
      3  -0.738394D-01 -0.503274D+00 -0.715199D-01 -0.158205D+01 -0.137047D+01
               196           197           198 
      1  -0.114928D+01  0.410042D+00 -0.137772D+00
      2   0.410042D+00 -0.241516D+01 -0.149565D+01
      3  -0.137772D+00 -0.149565D+01 -0.661601D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.125885D+01 -0.505522D-01 -0.310106D+01  0.115057D+01 -0.486946D-01
      2   0.478294D+00  0.922343D+00  0.287319D+01 -0.300023D+00 -0.472406D+00
      3  -0.708799D+01 -0.102174D+02 -0.138844D+00  0.850362D+01 -0.335100D+01
                 6             7             8             9            10 
      1  -0.143889D+01 -0.740070D+01  0.366932D+01  0.152303D+01  0.412186D+00
      2   0.523245D+01 -0.256048D+01  0.109102D+02  0.748353D+00  0.169736D+00
      3  -0.694062D-01  0.926143D+00  0.164704D+01 -0.509032D+01  0.365610D+01
                11            12            13            14            15 
      1   0.545324D+00  0.414592D+00  0.113967D+01 -0.987026D+00  0.149760D+01
      2  -0.192511D+00  0.677334D+01 -0.224164D+01 -0.357948D+00 -0.875799D+00
      3  -0.787553D+01 -0.146535D+00  0.108170D+02  0.440898D+01 -0.132793D+01
                16            17            18            19            20 
      1   0.196839D+01  0.114560D+02  0.769427D+00  0.949202D+00 -0.936360D+00
      2   0.747021D+01 -0.300354D+01 -0.246435D+01  0.409123D+00  0.497023D-01
      3   0.139305D+01 -0.205812D+00  0.195910D+01 -0.237046D+01 -0.158840D+02
                21            22            23            24            25 
      1   0.155927D+00 -0.953002D+00  0.163639D+00 -0.201473D+01  0.414348D+01
      2   0.167449D+00  0.963404D+00  0.158048D+01 -0.527062D+01 -0.874016D+01
      3  -0.532607D+00  0.649800D+00  0.150986D-01 -0.504834D+00  0.436210D+00
                26            27            28            29            30 
      1   0.272844D+01 -0.167713D+00 -0.151397D+01  0.181128D+01 -0.809209D+00
      2  -0.933793D+01 -0.919748D+00 -0.277860D+01 -0.148391D+01 -0.101489D+01
      3   0.952167D+00  0.553493D+01 -0.376499D+01  0.448520D+01  0.153843D+01
                31            32            33            34            35 
      1   0.182653D+01  0.523698D+00 -0.958423D+00 -0.279236D+01  0.641450D+01
      2   0.174001D+01 -0.161524D+01 -0.152668D+01 -0.143952D+02 -0.156216D+01
      3   0.970773D+01  0.204428D+02 -0.128281D+01  0.292833D+01 -0.162376D+01
                36            37            38            39            40 
      1   0.407880D+00  0.428283D+00  0.137157D+01  0.114816D+01  0.208121D+01
      2   0.139643D+01 -0.164519D+01 -0.759992D+00 -0.920318D+00 -0.101400D+01
      3   0.320577D+01 -0.796040D+01  0.105092D+02  0.127246D+01  0.981680D+01
                41            42            43            44            45 
      1  -0.229886D+00 -0.208308D+00  0.365250D+01  0.983153D+01 -0.428432D-01
      2   0.565766D+00  0.575536D+00 -0.124967D+02  0.554146D+00  0.834343D+00
      3  -0.624005D+01 -0.159338D+01 -0.789339D+00 -0.514697D+01 -0.233815D+01
                46            47            48            49            50 
      1   0.671190D+00 -0.553274D+00  0.261074D+01 -0.275335D+00 -0.994264D+00
      2  -0.257428D+01  0.181334D+01 -0.173918D+01 -0.509473D-01  0.439555D+00
      3   0.103978D+02 -0.518030D+01 -0.244424D+01  0.727999D+01 -0.603338D+01
                51            52            53            54            55 
      1  -0.314405D+01  0.389957D+01  0.957884D+00 -0.176413D+01 -0.983550D+00
      2   0.229725D+01 -0.136690D+02  0.170876D+01  0.244929D+01 -0.194389D+00
      3   0.171298D-01 -0.379106D+01  0.141094D+01 -0.533523D+01 -0.274643D+01
                56            57            58            59            60 
      1   0.193988D+01 -0.925068D+00  0.293542D+01 -0.950066D+00 -0.154614D+01
      2   0.652187D+00 -0.281254D+00  0.140766D+01 -0.571575D+01  0.874908D+00
      3  -0.280305D+01 -0.942893D+00  0.122508D+02  0.810027D+01  0.446872D+01
                61            62            63            64            65 
      1  -0.364587D+01  0.641906D+01  0.313600D+01 -0.328317D+01 -0.118728D+01
      2  -0.108124D+02  0.118688D+01  0.125381D+02  0.691743D+01  0.340144D+01
      3  -0.328038D+01  0.705056D+01  0.203796D+01  0.852721D+01 -0.131948D+02
                66            67            68            69            70 
      1   0.186213D+01 -0.197900D+01 -0.338904D+01 -0.271776D+01  0.386415D+01
      2  -0.171819D+01  0.380771D+01  0.355939D+01  0.435186D+00 -0.114543D+02
      3   0.152609D+01 -0.821699D+01 -0.603554D+01 -0.348332D+01  0.812891D+00
                71            72            73            74            75 
      1   0.210143D+01  0.612286D+01  0.573482D+00 -0.248438D+01 -0.495573D+00
      2  -0.119676D+01 -0.121173D+02 -0.140386D+01  0.896949D+00  0.211484D+01
      3  -0.445884D+01 -0.335900D+01 -0.780993D+01  0.798185D+00 -0.156662D+01
                76            77            78            79            80 
      1  -0.856165D+00  0.475924D+01  0.651604D+01  0.526676D+01  0.213310D+02
      2   0.231097D+00  0.258366D-01 -0.247846D+01 -0.536489D+01 -0.529204D+01
      3   0.136073D+02 -0.473605D+01  0.404803D+01 -0.740795D+00  0.750975D+01
                81            82            83            84            85 
      1  -0.632340D+01  0.308083D+00  0.368604D+00 -0.247698D+01 -0.125576D+00
      2   0.263071D+01 -0.599336D+00 -0.666882D+00  0.320777D+01  0.616269D-02
      3   0.141865D+01 -0.136316D+01 -0.465384D+01  0.286869D+00 -0.359055D+01
                86            87            88            89            90 
      1  -0.351381D-01 -0.319297D+01  0.970297D+00  0.143142D+01  0.780452D-01
      2  -0.198961D+00  0.330273D+01 -0.894226D+00 -0.802974D+00 -0.911762D-01
      3  -0.107031D+02  0.126290D+00 -0.299016D+00 -0.640715D+00  0.944311D-01
                91            92            93            94            95 
      1   0.245824D-01 -0.427328D+00  0.581232D+00 -0.197145D+00  0.131134D+00
      2  -0.197332D+01  0.237480D+00  0.649461D+01  0.924148D+00 -0.476721D+00
      3   0.245846D+01 -0.536093D+01 -0.300536D+00 -0.435514D+01  0.189281D+01
                96            97            98            99           100 
      1  -0.351465D+00 -0.532837D+00  0.396475D+00 -0.107180D+00 -0.710531D-01
      2  -0.102050D+01 -0.227857D+01  0.369133D+00 -0.604327D+00 -0.392248D+00
      3   0.587497D+00 -0.635284D+00  0.654623D+00 -0.499146D-02  0.993331D+00
               101           102           103           104           105 
      1   0.257560D+00  0.153856D+01  0.269326D-02  0.528504D+00 -0.429362D+01
      2   0.578150D+00  0.134653D+01  0.302540D+00 -0.166812D+01 -0.292662D+01
      3  -0.236918D+01 -0.393012D+00 -0.103819D+01  0.150483D+02  0.146910D+01
               106           107           108           109           110 
      1  -0.264361D+00  0.144724D+01 -0.361590D+00  0.246944D+00 -0.308425D-02
      2  -0.660500D+00  0.164798D+00 -0.435796D+00  0.656722D+00 -0.662587D+00
      3  -0.338739D+00  0.125524D+01 -0.542495D-01 -0.679699D+01  0.556398D+01
               111           112           113           114           115 
      1   0.133580D+01 -0.322389D+00  0.804081D+00 -0.427479D+01 -0.446201D+00
      2   0.166152D+00 -0.819157D+00  0.979154D+00 -0.160667D+00 -0.113720D+01
      3   0.513624D+00  0.808636D+01 -0.121911D+02 -0.107367D+01  0.102200D+01
               116           117           118           119           120 
      1   0.171036D+01 -0.251850D+00 -0.695509D+00 -0.139191D+01  0.754043D+00
      2   0.429023D+00 -0.746262D-01 -0.136704D+01 -0.203344D-01  0.307227D+01
      3  -0.188463D+01 -0.199383D-01 -0.548518D+00 -0.333099D+01  0.114695D+01
               121           122           123           124           125 
      1  -0.128924D+01 -0.578532D+00 -0.651736D+00  0.990390D+00  0.259594D+01
      2   0.312374D+00 -0.441897D+00 -0.928512D+00  0.165473D+01 -0.670881D+00
      3  -0.234307D+01 -0.808541D+00  0.232798D+01  0.174354D+01  0.216538D+01
               126           127           128           129           130 
      1  -0.373424D+01  0.249191D+01  0.137867D+00  0.282480D+01 -0.216232D+01
      2  -0.146903D+02  0.753663D+01 -0.193126D+01  0.573317D+01 -0.245315D+01
      3  -0.163337D+00  0.205016D+02 -0.121671D+02 -0.149705D+01 -0.191837D+01
               131           132           133           134           135 
      1   0.881795D+01 -0.566017D+00  0.307232D+00  0.480106D+01 -0.100945D+02
      2   0.669164D+01  0.586886D+00 -0.415621D+00  0.270541D+01 -0.156646D+02
      3  -0.172601D+02 -0.767086D+01 -0.103226D+01 -0.767388D+01 -0.433088D+01
               136           137           138           139           140 
      1   0.245178D+01  0.556067D+00 -0.241929D+01  0.740452D+00  0.804266D+00
      2  -0.489874D+01 -0.187020D+01  0.567339D+01 -0.178095D+01 -0.196664D+01
      3   0.480365D+01 -0.374587D+01 -0.102233D+01  0.264636D+00 -0.226611D+01
               141           142           143           144           145 
      1  -0.153623D+01 -0.270019D+01  0.770957D-01  0.117386D+01 -0.134362D+01
      2   0.186280D+01  0.406504D+01  0.190171D+01 -0.265712D+01  0.210701D+01
      3   0.138927D+01 -0.212720D+01  0.295652D+01  0.841327D+00 -0.668049D-01
               146           147           148           149           150 
      1   0.171319D+00 -0.144412D+01  0.426502D+00 -0.152637D+01 -0.131297D+00
      2  -0.187013D+00  0.304737D+01 -0.516232D+00  0.138649D+01 -0.516632D+00
      3  -0.182339D+00  0.156653D+01  0.152765D+01  0.241437D+01 -0.210607D+01
               151           152           153           154           155 
      1  -0.357616D+01  0.252754D+01 -0.878923D+01  0.225493D+01  0.219816D+00
      2   0.310657D+01  0.144465D+01  0.161558D+02  0.276841D+00 -0.619235D-01
      3   0.346034D+01 -0.492773D+01  0.208001D+01  0.344056D+01  0.463167D+00
               156           157           158           159           160 
      1  -0.605793D+00  0.120867D+01  0.378216D+01 -0.629045D+01 -0.291126D+01
      2   0.958523D+00  0.142967D+00 -0.186415D+01  0.195138D+01 -0.862294D+00
      3  -0.262094D+01  0.151130D+01 -0.104601D+01  0.809891D+00 -0.599552D+01
               161           162           163           164           165 
      1  -0.834030D+01  0.140848D+02 -0.136215D+01  0.581627D+00  0.481019D+00
      2   0.359456D+01 -0.483571D+01  0.371410D+00 -0.440666D+00  0.721026D+00
      3  -0.340654D+00 -0.105925D+01 -0.118574D+01  0.170043D+00  0.205117D+01
               166           167           168           169           170 
      1  -0.126348D+01 -0.750525D+01 -0.732665D+01 -0.141923D+01 -0.773788D+01
      2  -0.487932D+00  0.220525D+01  0.160650D+01 -0.786699D+00  0.243190D+01
      3   0.449376D+01 -0.519086D+01 -0.242909D+01  0.422925D+01 -0.379077D+01
               171           172           173           174           175 
      1  -0.664950D+01  0.115939D+01 -0.626688D+00 -0.169580D+01 -0.241591D+00
      2   0.147212D+01  0.262882D+01  0.370351D+00 -0.216889D+01 -0.849389D-02
      3  -0.231805D+01 -0.299870D+00  0.156467D+01 -0.178049D+01  0.121060D+01
               176           177           178           179           180 
      1   0.122130D+01 -0.990164D+00  0.359026D+00  0.121068D+01  0.134853D+02
      2   0.184722D+01 -0.580711D+00 -0.234343D+01 -0.302781D+01  0.191921D+02
      3   0.182770D+01 -0.184495D+01 -0.165284D+01 -0.336350D+01  0.349453D+01
               181           182           183           184           185 
      1  -0.280232D+00  0.182098D+00  0.196167D+01  0.364659D+00 -0.727843D+00
      2  -0.410896D+01  0.269796D-01  0.576720D+01  0.201311D+00 -0.116300D+01
      3  -0.178796D+02 -0.437534D+01  0.982595D+00 -0.193479D+01 -0.505561D+00
               186           187           188           189           190 
      1  -0.445295D+00  0.167603D+01  0.324947D+00  0.259426D+00 -0.117986D+01
      2   0.540904D+00  0.223622D+01 -0.357473D+00  0.213725D+00 -0.137370D+01
      3   0.124770D+01  0.137779D+01  0.199533D+01 -0.124618D+01  0.418753D+01
               191           192           193           194           195 
      1  -0.482158D+00 -0.169578D+01 -0.453469D+00 -0.535038D+01 -0.560459D+01
      2   0.114896D+00 -0.604163D+00 -0.366865D+00 -0.333995D+01 -0.298134D+01
      3   0.472803D+01  0.171279D+01  0.547188D+01  0.231318D+02  0.514269D+01
               196           197           198 
      1  -0.494086D+00 -0.229562D+01 -0.196588D+01
      2  -0.146319D+01 -0.306444D+01 -0.132389D+01
      3   0.235289D+01  0.645972D+01  0.465289D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.277891D+00 -0.227661D+02 -0.134294D+01  0.257478D+02  0.666709D+01
      2  -0.388177D+01  0.166416D+02 -0.177223D+00 -0.259792D+02 -0.120927D+02
      3   0.415966D+01  0.612443D+01  0.152016D+01  0.231390D+00  0.542559D+01
      4  -0.230269D+02  0.487241D+01  0.490051D+01  0.681808D+01 -0.146126D+02
      5   0.156087D+01  0.532648D+01  0.671023D+01 -0.967669D+00 -0.299497D+01
      6   0.496971D+01  0.217269D+01  0.640392D+01 -0.338384D+01  0.442155D+00
                 6             7             8             9            10 
      1   0.225055D+00  0.636032D+01  0.597350D+01  0.210962D+01 -0.141627D+02
      2   0.882562D+00 -0.471325D+01 -0.494995D+01 -0.809686D+01  0.847461D+01
      3  -0.110762D+01 -0.164707D+01 -0.102355D+01  0.598724D+01  0.568805D+01
      4  -0.382390D+01  0.467832D+01 -0.259584D+01  0.151518D+02  0.514550D+01
      5   0.112597D+02  0.217598D+02  0.174903D+02  0.154096D+01  0.939965D+01
      6   0.430574D+01  0.102243D+02  0.140876D+02 -0.233802D+01 -0.353708D+00
                11            12            13            14            15 
      1   0.222110D+01  0.633949D+01 -0.125915D+02 -0.250374D+02 -0.244976D+01
      2  -0.249132D+00 -0.382510D+01  0.109618D+02  0.246370D+02  0.317846D+01
      3  -0.197196D+01 -0.251439D+01  0.162969D+01  0.400377D+00 -0.728696D+00
      4   0.214712D+02 -0.456826D+00 -0.261768D+02  0.877171D+01  0.366605D+01
      5  -0.971426D+00  0.141619D+02 -0.482975D+01  0.306356D+01 -0.229082D+01
      6  -0.110796D+01 -0.972769D+00  0.351822D+01 -0.753882D+00 -0.360613D+01
                16            17            18            19            20 
      1   0.965988D+01 -0.382733D+01  0.134938D+02  0.151382D+02  0.221514D+02
      2  -0.354427D+01  0.281976D+01 -0.194018D+02 -0.146932D+02 -0.163783D+02
      3  -0.611561D+01  0.100756D+01  0.590795D+01 -0.444931D+00 -0.577310D+01
      4  -0.606350D+01 -0.712766D+00 -0.142348D+01  0.129087D+02 -0.134802D+02
      5   0.342863D+02 -0.336518D+01 -0.523488D+01  0.115061D+01 -0.481055D+01
      6  -0.143464D+00  0.355811D+01 -0.137004D+01 -0.323777D+01  0.478858D+01
                21            22            23            24            25 
      1  -0.430255D+00 -0.197303D+02  0.133742D+02  0.139364D+01  0.833711D-01
      2   0.377184D+00  0.184201D+02 -0.212344D+02 -0.353367D+01  0.225964D+01
      3   0.530711D-01  0.131020D+01  0.786014D+01  0.214003D+01 -0.234301D+01
      4  -0.450813D+01  0.808762D+01  0.454694D+01  0.185721D+01 -0.466121D+01
      5  -0.595517D+00 -0.507698D+00  0.220174D+01 -0.100297D+02  0.113580D+02
      6  -0.131918D+01  0.119579D+01 -0.466409D+01  0.493557D+01 -0.748866D+01
                26            27            28            29            30 
      1  -0.254359D+01 -0.350910D+01 -0.108347D+02 -0.274599D+02 -0.856318D+00
      2  -0.225716D+01 -0.509436D+01  0.936451D+01  0.219174D+02 -0.150046D+01
      3   0.480075D+01  0.860346D+01  0.147024D+01  0.554253D+01  0.235678D+01
      4   0.625192D+01 -0.154807D+02 -0.111405D+02 -0.609570D+01  0.280001D+00
      5  -0.153551D+02 -0.214762D+01 -0.995542D+00  0.570237D+00 -0.119943D+01
      6   0.133939D+02  0.203737D+01  0.365594D+00 -0.305870D+01  0.212095D+01
                31            32            33            34            35 
      1  -0.103100D+02 -0.700593D+01  0.385179D-01  0.113296D+01  0.128590D+01
      2  -0.345775D+00  0.603020D+01  0.541161D+00 -0.272261D+01 -0.110298D+01
      3   0.106557D+02  0.975734D+00 -0.579679D+00  0.158966D+01 -0.182925D+00
      4   0.780735D+01 -0.100751D+02 -0.196056D+01 -0.235972D+00  0.142408D+01
      5  -0.194373D+01 -0.193130D+01 -0.838741D+00  0.127842D+01 -0.241066D+01
      6  -0.690706D+01 -0.152094D+01  0.269905D+01  0.249693D+01  0.927445D+01
                36            37            38            39            40 
      1  -0.124580D+02 -0.243551D+02  0.415377D+01 -0.920342D-01 -0.365956D+01
      2   0.120114D+01  0.895070D+01 -0.995463D+00  0.178860D+00  0.619262D+01
      3   0.112569D+02  0.154044D+02 -0.315831D+01 -0.868259D-01 -0.253305D+01
      4  -0.148936D+01 -0.678334D+01  0.650481D+01  0.953910D+00 -0.135346D+02
      5   0.215292D+01 -0.582978D+01  0.528455D-01  0.656460D+00 -0.341449D-01
      6  -0.105251D+01  0.882764D+00 -0.149357D+01 -0.157648D+01  0.520955D+01
                41            42            43            44            45 
      1  -0.557429D+01  0.332320D+00  0.413520D+01 -0.199880D+01 -0.928248D+01
      2   0.124359D+02  0.139948D+01 -0.951031D+00  0.243859D+01 -0.360501D+01
      3  -0.686164D+01 -0.173180D+01 -0.318417D+01 -0.439786D+00  0.128875D+02
      4   0.757018D+01  0.354824D+01 -0.179182D+01  0.364393D+01 -0.159717D+01
      5   0.268719D+01  0.106318D+00  0.279125D+01  0.756493D+00  0.185837D+00
      6   0.100185D+01 -0.124878D+01 -0.136112D+01  0.333461D+01 -0.126794D-01
                46            47            48            49            50 
      1   0.767317D+01  0.103814D+02 -0.126392D+01  0.397537D+01  0.907043D+01
      2  -0.595851D+01 -0.107421D+02  0.110256D+01  0.469548D+01 -0.158704D+02
      3  -0.171465D+01  0.360706D+00  0.161361D+00 -0.867084D+01  0.679997D+01
      4   0.140501D+02 -0.191339D+02 -0.222496D+01  0.159021D+02  0.112889D+02
      5   0.194794D+00 -0.224933D+01 -0.421915D+01  0.133293D+01  0.233157D+00
      6  -0.416288D+01  0.266360D+01 -0.454096D+01  0.157309D+00 -0.456440D+01
                51            52            53            54            55 
      1   0.190812D+01 -0.165961D+01  0.433879D+00 -0.158336D+02  0.168073D+02
      2  -0.341071D+01  0.264721D+01 -0.377568D+01  0.449824D+01 -0.540228D+01
      3   0.150259D+01 -0.987598D+00  0.334180D+01  0.113354D+02 -0.114051D+02
      4   0.835254D-02  0.185735D+01  0.431184D+01  0.653165D+01  0.881972D+01
      5   0.262597D+01  0.145169D+01  0.654014D+01  0.485355D+01  0.374181D+01
      6   0.685256D+01 -0.258504D+01  0.179983D+02  0.471362D+01 -0.598299D+00
                56            57            58            59            60 
      1   0.965947D+00 -0.167886D+01  0.494904D+01 -0.783637D+01  0.134418D+01
      2   0.154954D+01 -0.321264D+01 -0.343988D+00  0.730700D+00  0.108697D+01
      3  -0.251549D+01  0.489150D+01 -0.460505D+01  0.710567D+01 -0.243115D+01
      4  -0.110827D+02  0.593601D-01 -0.208800D+02 -0.688660D+01 -0.786735D+01
      5   0.846246D+00 -0.827550D+01  0.192795D+01 -0.760054D+01  0.305413D+01
      6  -0.322869D+01  0.252514D+01 -0.516957D+01  0.292490D+01 -0.188112D+01
                61            62            63            64            65 
      1  -0.101797D+02  0.185376D+01  0.485258D+01 -0.155834D+02 -0.177739D+02
      2  -0.970179D+01  0.319800D+01  0.118046D+02  0.150186D+01  0.964272D+01
      3   0.198815D+02 -0.505176D+01 -0.166572D+02  0.140815D+02  0.813117D+01
      4   0.104570D+01 -0.122985D+02  0.525557D+01 -0.215593D+02 -0.656817D+01
      5  -0.157610D+02  0.325739D+01  0.338419D+02  0.145352D+02  0.533748D+01
      6   0.598543D+01 -0.880844D+00 -0.795418D+01  0.636182D+01  0.300207D+01
                66            67            68            69            70 
      1   0.940061D+01 -0.200827D+02  0.106025D+01  0.175162D+01  0.145134D+02
      2  -0.172526D+01  0.111743D+02  0.176092D+01  0.774197D+00 -0.976610D-01
      3  -0.767535D+01  0.890847D+01 -0.282118D+01 -0.252581D+01 -0.144157D+02
      4   0.676019D+01 -0.351632D+01  0.132874D+02  0.721452D+01  0.125480D+02
      5  -0.781247D+01  0.627606D+01  0.599270D+01  0.829107D+00 -0.135119D+02
      6  -0.359236D+01  0.422460D+01  0.557972D+01  0.186452D+01 -0.639461D+01
                71            72            73            74            75 
      1   0.664419D+01 -0.827130D+01 -0.621299D+01  0.104029D+02 -0.420538D+01
      2  -0.172055D+01  0.153978D+02  0.958305D+01 -0.585847D+01  0.430842D+01
      3  -0.492364D+01 -0.712651D+01 -0.337006D+01 -0.454440D+01 -0.103033D+00
      4   0.931024D+01 -0.624958D+01  0.467047D+01  0.551997D+01 -0.287528D-01
      5  -0.199241D+01 -0.265257D+02 -0.176724D+01  0.888818D+00 -0.866994D+00
      6   0.287812D+01 -0.101706D+02  0.814438D+00  0.564383D+01  0.166563D+00
                76            77            78            79            80 
      1   0.214066D+02  0.278032D+02  0.780598D+00 -0.887584D+01 -0.136328D+01
      2  -0.167881D+02 -0.297851D+02 -0.768983D+01  0.604384D+01 -0.863443D+01
      3  -0.461852D+01  0.198186D+01  0.690924D+01  0.283200D+01  0.999771D+01
      4   0.205057D+01 -0.586700D+01 -0.155664D+00  0.156147D+00  0.174435D+01
      5   0.179288D+01  0.498608D+00 -0.619058D+01 -0.168902D+01 -0.906998D+01
      6   0.463268D+01 -0.599607D+01 -0.205316D+02 -0.979099D+01 -0.376714D+02
                81            82            83            84            85 
      1   0.268771D+02  0.257360D+02  0.156893D+02 -0.194180D+00  0.101182D+02
      2  -0.250812D+02 -0.490279D+01  0.899042D+00  0.598497D-01  0.729418D+01
      3  -0.179589D+01 -0.208332D+02 -0.165884D+02  0.134330D+00 -0.174124D+02
      4  -0.692759D+01  0.382389D+02  0.337117D+02 -0.933715D+00  0.369374D+02
      5   0.716979D+01 -0.225215D+00 -0.486734D+00  0.604776D+01  0.799279D+00
      6   0.159681D+02 -0.106373D+01 -0.110020D+01  0.358897D+01 -0.265296D+00
                86            87            88            89            90 
      1   0.439408D+01  0.232763D+00 -0.159948D+01 -0.120967D+01  0.412621D+00
      2   0.173571D+02 -0.387938D+00  0.905732D+00  0.838687D+00  0.111443D+01
      3  -0.217512D+02  0.155175D+00  0.693749D+00  0.370980D+00 -0.152705D+01
      4   0.459638D+02 -0.726060D-01 -0.137108D+01 -0.559727D+00  0.317973D+01
      5   0.786982D+00  0.522066D+01  0.230592D+01  0.167769D+01 -0.353206D+00
      6  -0.621123D+00  0.546250D+01  0.169866D+01  0.246938D+01 -0.110734D+00
                91            92            93            94            95 
      1   0.101371D+03 -0.986424D+01 -0.864636D+01 -0.968999D+01  0.103241D+02
      2  -0.593306D+02  0.535467D+01  0.619591D+01  0.477945D+01 -0.507044D+01
      3  -0.420407D+02  0.450957D+01  0.245045D+01  0.491054D+01 -0.525369D+01
      4  -0.142343D+02  0.979309D+01  0.128846D+01  0.166719D+02 -0.488128D+01
      5  -0.127333D+02  0.129879D+01  0.117561D+02  0.255577D+01 -0.170706D+01
      6   0.174315D+00 -0.664135D+00 -0.698059D+00 -0.122055D+01  0.295944D+00
                96            97            98            99           100 
      1   0.146770D+01 -0.113751D+02  0.163237D+01  0.443586D+01  0.592477D+01
      2  -0.107112D+01  0.712528D+01 -0.943539D+00 -0.277327D+01  0.216516D+01
      3  -0.396589D+00  0.424977D+01 -0.688828D+00 -0.166259D+01 -0.808993D+01
      4  -0.176996D+01  0.285685D+01 -0.138069D+01 -0.127017D+01 -0.181926D+02
      5  -0.156518D+01  0.496948D+01 -0.544402D+00 -0.264859D+01 -0.204034D+01
      6   0.162784D+01 -0.519235D+00  0.919268D+00  0.487384D+00  0.178976D+01
               101           102           103           104           105 
      1  -0.477609D+01 -0.551486D+00  0.554429D-01 -0.143292D+02 -0.163346D+01
      2  -0.385847D+01  0.488418D-01 -0.989650D+01  0.344437D+02  0.226026D+01
      3   0.863456D+01  0.502644D+00  0.984105D+01 -0.201145D+02 -0.626800D+00
      4   0.213422D+02  0.269646D+01  0.246494D+02 -0.466266D+02 -0.443964D+01
      5   0.235052D+01  0.343070D+01  0.207839D+01 -0.336231D+01 -0.508062D+01
      6  -0.211978D+01 -0.239267D+01 -0.242596D+01  0.605153D+01  0.740610D+01
               106           107           108           109           110 
      1  -0.651495D+00 -0.897143D+00 -0.180252D+01 -0.453055D+01  0.787446D+01
      2  -0.601930D+00  0.260181D+01  0.284700D+01  0.668265D+01 -0.966871D+01
      3   0.125343D+01 -0.170467D+01 -0.104448D+01 -0.215210D+01  0.179426D+01
      4   0.395363D+01 -0.557903D+01 -0.268298D+01 -0.338617D+01  0.782717D+01
      5   0.170831D+01 -0.185818D+01 -0.131306D+01  0.347140D+00  0.205805D-01
      6  -0.179496D+01  0.406258D+01  0.167954D+01  0.119101D+01 -0.215063D+01
               111           112           113           114           115 
      1   0.144312D+01  0.626852D+01 -0.364773D+02 -0.383971D+01  0.114374D+01
      2  -0.943587D+00 -0.822877D+01  0.510134D+02  0.379904D+01 -0.135474D+01
      3  -0.499531D+00  0.196025D+01 -0.145361D+02  0.406682D-01  0.211001D+00
      4   0.339794D+00  0.600476D+01  0.318497D+01  0.554428D+00  0.290415D+00
      5   0.849874D+00  0.468734D-01  0.180049D+01  0.638550D+00  0.517978D+00
      6  -0.183505D+01 -0.109355D+01  0.728158D+01  0.765712D+01 -0.558581D+00
               116           117           118           119           120 
      1  -0.359039D+01 -0.206206D+01  0.411074D+01 -0.736161D+00 -0.422920D+01
      2   0.417420D+01  0.253156D+01 -0.764081D+01  0.274764D+00  0.592620D+01
      3  -0.583808D+00 -0.469495D+00  0.353007D+01  0.461398D+00 -0.169700D+01
      4  -0.415118D+00 -0.146725D+01 -0.371702D+01  0.656738D+01  0.177680D+01
      5  -0.503546D+00 -0.422480D+00 -0.109651D+02  0.114945D+01  0.138452D+02
      6   0.353732D+01  0.162524D+01  0.211648D+01 -0.777332D-01 -0.158817D+01
               121           122           123           124           125 
      1  -0.435728D+00 -0.150368D+01 -0.492196D+00 -0.121992D+01 -0.972904D+00
      2  -0.416627D+00 -0.106890D+01  0.293744D+00  0.123269D+02 -0.120164D+01
      3   0.852355D+00  0.257258D+01  0.198452D+00 -0.111069D+02  0.217454D+01
      4   0.940279D+01 -0.263654D+01 -0.453705D+01  0.422524D+01 -0.536461D+01
      5   0.588945D+00 -0.450078D+01 -0.146468D+01  0.217229D+02 -0.368217D+01
      6  -0.169658D+01  0.136191D+01  0.734260D+01 -0.395803D+01  0.510381D+01
               126           127           128           129           130 
      1  -0.128516D+02 -0.589095D+02  0.886730D+01  0.453740D+01 -0.284537D+01
      2  -0.222890D+02  0.336326D+02 -0.126834D+02 -0.462860D+01 -0.435462D+01
      3   0.351406D+02  0.252768D+02  0.381607D+01  0.911985D-01  0.719999D+01
      4  -0.360812D+01  0.140431D+02  0.137916D+02 -0.319532D+01  0.204539D+02
      5  -0.381576D+02  0.458498D+01 -0.118580D+01  0.765224D+01 -0.364254D+01
      6   0.919049D+01 -0.647279D+01  0.208517D+01 -0.523599D+01  0.377485D+01
               131           132           133           134           135 
      1   0.237161D+02  0.528428D+01  0.909391D+01  0.321585D+01  0.158433D+02
      2  -0.266360D+02 -0.110250D+02 -0.201329D+01 -0.124066D+02  0.141056D-01
      3   0.291985D+01  0.574071D+01 -0.708062D+01  0.919076D+01 -0.158574D+02
      4   0.407553D+01  0.121567D+02 -0.891939D+01  0.143347D+02 -0.297218D+01
      5   0.144908D+02  0.965507D+00  0.727727D+01  0.188084D+01 -0.253006D+02
      6  -0.127113D+02 -0.347319D+00 -0.420387D+01 -0.142178D+01  0.172800D+02
               136           137           138           139           140 
      1   0.499396D+02  0.142739D+02 -0.957131D+01  0.112956D+02  0.616013D+01
      2  -0.224037D+02 -0.340771D+01  0.443608D+01 -0.120661D+01  0.256156D+01
      3  -0.275358D+02 -0.108662D+02  0.513524D+01 -0.100890D+02 -0.872169D+01
      4   0.352123D+02  0.201508D+02 -0.692145D+01  0.204359D+02  0.146186D+02
      5  -0.141782D+02 -0.451764D+01  0.106595D+02 -0.434077D+01 -0.524875D+01
      6  -0.595367D+01 -0.297748D+01  0.441660D+01 -0.309189D+01 -0.324583D+01
               141           142           143           144           145 
      1  -0.154990D+01 -0.148421D+02 -0.300691D+01  0.732059D+01  0.725788D+01
      2  -0.675528D+00  0.765462D+01 -0.499473D-01 -0.609398D+01 -0.647416D+01
      3   0.222543D+01  0.718749D+01  0.305686D+01 -0.122661D+01 -0.783729D+00
      4  -0.574912D+01 -0.117779D+02 -0.920831D+01  0.807919D+01  0.544403D+01
      5   0.342481D+01  0.151776D+02  0.573813D+01 -0.696369D+01  0.821068D+01
      6   0.320970D+01  0.694659D+01  0.390856D+01 -0.345108D+01  0.250410D+01
               146           147           148           149           150 
      1   0.341601D+01  0.499418D+01  0.593737D+00 -0.101819D+01 -0.172894D+01
      2  -0.201066D+01 -0.498780D+01  0.107804D+01 -0.132771D+01  0.247796D+01
      3  -0.140535D+01 -0.638174D-02 -0.167178D+01  0.234591D+01 -0.749025D+00
      4   0.271184D+01  0.224831D+01  0.396511D+01 -0.108248D+01  0.400987D+01
      5   0.525855D+00  0.955900D+01 -0.124639D+01  0.397306D+01 -0.167707D+01
      6   0.918635D+00  0.194192D+01  0.115567D+01  0.134219D+01  0.474341D+01
               151           152           153           154           155 
      1   0.749891D+01 -0.227021D+01 -0.164001D+01  0.140182D+00  0.747374D+00
      2  -0.109616D+02  0.184224D+01 -0.186621D+02 -0.960802D+00 -0.479396D+00
      3   0.346272D+01  0.427967D+00  0.203021D+02  0.820620D+00 -0.267978D+00
      4   0.427164D+01  0.710528D+01  0.664027D+01  0.303335D+01  0.658815D+01
      5   0.184213D+02  0.340733D+01  0.347194D+02 -0.234085D+01 -0.350378D+01
      6   0.638516D+01  0.478653D+01  0.154242D+02 -0.652561D+01 -0.174893D+01
               156           157           158           159           160 
      1  -0.860112D+00 -0.473118D+01 -0.232508D+02  0.114262D+02  0.390034D+01
      2   0.105242D+00  0.581514D+01  0.266173D+02 -0.109064D+02 -0.287233D+01
      3   0.754870D+00 -0.108397D+01 -0.336654D+01 -0.519820D+00 -0.102801D+01
      4  -0.549686D+01  0.495671D+01  0.823015D+01 -0.419546D+01 -0.882509D+01
      5   0.568649D+01 -0.212789D+01 -0.475063D+01  0.409015D+01  0.648471D+01
      6   0.139467D+01 -0.409501D+01 -0.181984D+02  0.174395D+02  0.853270D+01
               161           162           163           164           165 
      1   0.216530D+02 -0.251157D+02 -0.686305D+00  0.411331D+01  0.241580D+01
      2  -0.172177D+02  0.119157D+02  0.286098D+01 -0.453352D+01 -0.185158D+01
      3  -0.443530D+01  0.132000D+02 -0.217468D+01  0.420211D+00 -0.564215D+00
      4  -0.851290D+01  0.685115D+01  0.109083D+01  0.773935D+01  0.378186D+01
      5   0.902301D+01 -0.108892D+02  0.109692D+01  0.173835D+01  0.256652D+01
      6   0.314811D+02 -0.344119D+02  0.494070D+01 -0.133088D+01 -0.847604D+00
               166           167           168           169           170 
      1  -0.274926D+01 -0.355511D+02 -0.112106D+02  0.426178D+00 -0.188710D+02
      2   0.444111D+01  0.514433D+02  0.158191D+02  0.118274D+01  0.246062D+02
      3  -0.169185D+01 -0.158922D+02 -0.460846D+01 -0.160892D+01 -0.573523D+01
      4   0.682062D+01  0.103656D+02  0.303271D+01  0.539362D+01  0.537947D+01
      5   0.159654D+01  0.361775D+01  0.305771D+01  0.327589D+01  0.517767D+01
      6   0.164396D+01  0.214980D+02  0.157652D+02  0.370815D+01  0.249306D+02
               171           172           173           174           175 
      1  -0.160138D+02  0.340445D+01 -0.248686D+01  0.601824D+01  0.124397D+01
      2   0.147583D+02 -0.405553D+01  0.302772D+01 -0.136101D+01 -0.674980D+00
      3   0.125548D+01  0.651074D+00 -0.540862D+00 -0.465723D+01 -0.568986D+00
      4   0.412924D+01 -0.310142D+00 -0.210323D+01 -0.206853D+01 -0.101310D+01
      5   0.243136D+01  0.253239D+01  0.327768D-01  0.140048D-01  0.468141D+00
      6   0.153210D+02 -0.205525D+01 -0.151829D+01  0.323006D+01  0.102000D+00
               176           177           178           179           180 
      1  -0.631033D+01  0.249266D+01  0.607470D+01  0.371983D+01 -0.179642D+02
      2   0.415634D+01 -0.271185D+01 -0.345437D+01 -0.262316D+01 -0.926204D+01
      3   0.215399D+01  0.219187D+00 -0.262033D+01 -0.109667D+01  0.272262D+02
      4  -0.119963D+01  0.292099D+01 -0.625657D+01  0.709753D+01 -0.300644D+01
      5   0.250768D+01 -0.705818D+00  0.761800D+01 -0.627665D+01  0.326372D+02
      6  -0.260033D+01  0.618320D+01 -0.209564D+01  0.919871D+01 -0.256559D+02
               181           182           183           184           185 
      1   0.874796D+02 -0.833192D+01 -0.341175D+01  0.521723D+01  0.505679D+01
      2  -0.450905D+02  0.960396D+00  0.151224D+01 -0.584442D+01  0.886250D-02
      3  -0.423891D+02  0.737152D+01  0.189952D+01  0.627186D+00 -0.506565D+01
      4  -0.363930D+02  0.156207D+02  0.778402D+00  0.906044D+01 -0.375240D+01
      5   0.195852D+01 -0.558864D+00  0.100623D+02  0.513166D+00 -0.170355D+01
      6   0.198634D+01  0.751685D+00 -0.384341D+01  0.345604D+00  0.131843D+01
               186           187           188           189           190 
      1  -0.929330D+00 -0.701798D+01 -0.443628D+00  0.643631D+01  0.199828D+01
      2   0.146371D+01  0.359693D+01  0.212681D+01 -0.529888D+01  0.186443D+01
      3  -0.534384D+00  0.342105D+01 -0.168318D+01 -0.113743D+01 -0.386271D+01
      4  -0.188118D+01  0.371453D+01 -0.373634D+01 -0.306790D+01 -0.208621D+01
      5   0.926544D+00  0.116045D+02 -0.168851D+01 -0.372875D+00 -0.175103D+01
      6   0.630792D+00 -0.370842D+01  0.174922D+01 -0.564648D+00  0.232666D+01
               191           192           193           194           195 
      1  -0.862626D+01 -0.249884D+01 -0.526429D+01 -0.278134D+02 -0.589016D+01
      2   0.937903D+01  0.230394D+01  0.166401D+01  0.480522D+02  0.952825D+01
      3  -0.752771D+00  0.194899D+00  0.360028D+01 -0.202388D+02 -0.363809D+01
      4   0.373822D+00  0.154014D+01  0.866721D+01 -0.324563D+02 -0.602966D+01
      5  -0.284646D+00 -0.136552D+01 -0.336345D+00 -0.805378D+01 -0.635602D+01
      6   0.550729D+00  0.265393D+01 -0.124000D+00  0.734782D+01  0.881327D+01
               196           197           198 
      1  -0.425965D+01 -0.646387D+01 -0.785987D+01
      2   0.158812D+01  0.111906D+02  0.669310D+01
      3   0.267153D+01 -0.472670D+01  0.116678D+01
      4   0.491106D+01 -0.102395D+02 -0.457570D+01
      5   0.523652D+00 -0.637468D+01 -0.271662D+01
      6   0.452150D+00  0.942407D+01  0.493496D+01
 Leave Link  716 at Fri Jul 23 16:14:18 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.143571D+03  0.182749D+01 -0.351309D+01
      2   0.182749D+01  0.126122D+03  0.156966D+01
      3  -0.351309D+01  0.156966D+01  0.793237D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.374080D+00  0.966073D+00  0.130440D+01
      2   0.100325D+02 -0.551134D+01  0.144562D+02
      3   0.407344D+00  0.309934D+02  0.507007D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.728877D+02 -0.152626D+02  0.141337D+02
      2   0.368797D+02  0.131050D+01 -0.134200D+02
      3   0.360080D+02  0.139521D+02 -0.713695D+00
      4  -0.270162D+02 -0.318293D+02 -0.105818D+02
      5   0.151015D+02 -0.135225D+02  0.360164D+02
      6  -0.716824D+01 -0.133312D+01  0.201691D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.753508D-01 -0.966620D+00 -0.613177D+00 -0.440335D+01  0.709968D-01
      2  -0.966620D+00 -0.194592D+01 -0.539108D+00  0.709968D-01 -0.225691D+01
      3  -0.613177D+00 -0.539108D+00 -0.132212D+01  0.515831D+00  0.398958D+00
                 6             7             8             9            10 
      1   0.515831D+00 -0.116403D+01 -0.519302D-01 -0.335451D+01 -0.410969D+01
      2   0.398958D+00 -0.519302D-01  0.415485D+00 -0.349575D+01  0.671034D+00
      3  -0.212503D+01 -0.335451D+01 -0.349575D+01  0.153726D+00 -0.558478D+00
                11            12            13            14            15 
      1   0.671034D+00 -0.558478D+00  0.105321D+01  0.183652D+01  0.348009D+00
      2  -0.244305D+01 -0.230714D-01  0.183652D+01  0.225899D+01 -0.313316D+00
      3  -0.230714D-01 -0.221544D+01  0.348009D+00 -0.313316D+00  0.594712D+00
                16            17            18            19            20 
      1  -0.686786D+00  0.569721D+00 -0.492375D+01  0.955572D+00 -0.279253D+01
      2   0.569721D+00  0.215996D+00  0.591394D+00 -0.279253D+01 -0.346595D+01
      3  -0.492375D+01  0.591394D+00  0.122790D+01 -0.338226D+00  0.555433D+00
                21            22            23            24            25 
      1  -0.338226D+00  0.466112D+01 -0.198871D+00 -0.515105D-01  0.578583D-01
      2   0.555433D+00 -0.198871D+00  0.297987D+00 -0.411159D+00  0.916678D+00
      3  -0.538863D+00 -0.515105D-01 -0.411159D+00  0.204068D+01 -0.235713D+01
                26            27            28            29            30 
      1   0.916678D+00 -0.235713D+01  0.683490D+00  0.272865D+01 -0.173512D+00
      2  -0.517393D+00  0.334371D+01  0.272865D+01  0.676702D+01 -0.135061D+00
      3   0.334371D+01  0.125786D+01 -0.173512D+00 -0.135061D+00  0.137839D+01
                31            32            33            34            35 
      1   0.109175D+02  0.403395D+01 -0.815314D+00  0.164744D+01 -0.290686D+00
      2   0.403395D+01  0.608182D+01 -0.398579D+00 -0.290686D+00 -0.252982D+00
      3  -0.815314D+00 -0.398579D+00  0.125758D+01  0.159739D+01  0.279905D+01
                36            37            38            39            40 
      1   0.159739D+01  0.141212D+02 -0.179870D+01 -0.168708D+01 -0.572460D+01
      2   0.279905D+01 -0.179870D+01  0.354249D+01  0.150624D+00 -0.309020D+01
      3  -0.456622D-01 -0.168708D+01  0.150624D+00  0.180293D+01 -0.142169D+00
                41            42            43            44            45 
      1  -0.309020D+01 -0.142169D+00 -0.129512D+01 -0.389701D+00  0.299786D+01
      2  -0.668316D+00  0.518037D+00 -0.389701D+00  0.389067D+00 -0.725341D+00
      3   0.518037D+00  0.241388D+00  0.299786D+01 -0.725341D+00 -0.126258D+01
                46            47            48            49            50 
      1  -0.136926D+01  0.310804D+01  0.261369D+00 -0.519942D+01  0.620855D+00
      2   0.310804D+01  0.178011D+01 -0.433900D+00  0.620855D+00 -0.159053D+01
      3   0.261369D+00 -0.433900D+00  0.767469D+00  0.152119D+00  0.310443D+00
                51            52            53            54            55 
      1   0.152119D+00  0.547595D-01 -0.535855D+00  0.384670D+00 -0.344514D+01
      2   0.310443D+00 -0.535855D+00  0.116950D+00 -0.391023D+01  0.220275D+01
      3  -0.205458D+01  0.384670D+00 -0.391023D+01 -0.122949D+01  0.928497D+00
                56            57            58            59            60 
      1   0.220275D+01  0.928497D+00  0.295590D+01 -0.335953D+01  0.319762D+00
      2  -0.239606D+01  0.985118D-01 -0.335953D+01 -0.224207D+01 -0.158847D+01
      3   0.985118D-01 -0.166932D+01  0.319762D+00 -0.158847D+01  0.556612D+00
                61            62            63            64            65 
      1   0.264860D+01  0.214333D+00 -0.346334D+01 -0.387390D+01 -0.365110D+01
      2   0.214333D+00 -0.224957D+01  0.467061D+00 -0.365110D+01  0.103558D+01
      3  -0.346334D+01  0.467061D+00  0.809740D+01  0.219110D+01  0.709518D+00
                66            67            68            69            70 
      1   0.219110D+01 -0.380541D+01  0.865486D+00  0.864920D+00  0.323204D+01
      2   0.709518D+00  0.865486D+00  0.279593D+01  0.144002D+01  0.150477D+01
      3  -0.146274D+01  0.864920D+00  0.144002D+01  0.387230D+00 -0.236174D+01
                71            72            73            74            75 
      1   0.150477D+01 -0.236174D+01 -0.221115D+01  0.102906D+01 -0.198651D+00
      2   0.167651D+01  0.196366D+00  0.102906D+01 -0.195364D+01  0.837175D+00
      3   0.196366D+00 -0.596314D+01 -0.198651D+00  0.837175D+00  0.260191D-01
                76            77            78            79            80 
      1   0.480154D+00 -0.356747D+01  0.864172D+00  0.423599D+00  0.163881D+01
      2  -0.356747D+01 -0.763811D+01 -0.639456D+00  0.163881D+01 -0.174759D+00
      3   0.864172D+00 -0.639456D+00 -0.347082D+01 -0.141506D+01 -0.593046D+01
                81            82            83            84            85 
      1  -0.141506D+01 -0.578799D+01 -0.430657D+01  0.161614D+00 -0.404615D+01
      2  -0.593046D+01 -0.430657D+01 -0.374200D+01  0.158978D+00 -0.468985D+01
      3   0.330539D+01  0.161614D+00  0.158978D+00 -0.659246D+00 -0.418749D-01
                86            87            88            89            90 
      1  -0.468985D+01 -0.418749D-01  0.328494D+00  0.159289D+00 -0.131724D+00
      2  -0.664617D+01  0.747302D-02  0.159289D+00  0.590037D-02 -0.135044D+00
      3   0.747302D-02 -0.757111D+00 -0.131724D+00 -0.135044D+00 -0.155795D-02
                91            92            93            94            95 
      1  -0.136602D+02  0.138881D+01  0.140059D+01  0.149749D+01 -0.179583D+01
      2   0.138881D+01 -0.904765D+00 -0.154190D+00 -0.179583D+01  0.565403D+00
      3   0.140059D+01 -0.154190D+00 -0.114701D+01 -0.311420D+00  0.209621D+00
                96            97            98            99           100 
      1  -0.311420D+00  0.167082D+01 -0.340565D+00 -0.278593D+00 -0.228697D+01
      2   0.209621D+00 -0.340565D+00  0.197370D+00  0.688345D-01  0.250531D+01
      3   0.197850D+00 -0.278593D+00  0.688345D-01  0.197527D+00  0.357750D+00
               101           102           103           104           105 
      1   0.250531D+01  0.357750D+00  0.238982D+01 -0.370583D+01 -0.373678D+00
      2  -0.264784D+01 -0.389496D+00 -0.370583D+01  0.919435D+01  0.914552D+00
      3  -0.389496D+00 -0.426314D+00 -0.373678D+00  0.914552D+00  0.102234D+01
               106           107           108           109           110 
      1   0.382532D+00 -0.550551D+00 -0.219814D+00  0.130551D+01 -0.172953D+01
      2  -0.550551D+00  0.111117D+01  0.361101D+00 -0.172953D+01  0.188551D+01
      3  -0.219814D+00  0.361101D+00  0.198311D+00 -0.142711D+00  0.287481D+00
               111           112           113           114           115 
      1  -0.142711D+00 -0.135936D+01  0.171354D+01  0.121163D+00 -0.198900D+00
      2   0.287481D+00  0.171354D+01 -0.939977D+01 -0.889528D+00  0.283910D+00
      3   0.243059D+00  0.121163D+00 -0.889528D+00 -0.945037D+00 -0.584696D-02
               116           117           118           119           120 
      1   0.283910D+00 -0.584696D-02  0.248127D+01 -0.613879D+00 -0.201186D+01
      2  -0.908207D+00 -0.214485D+00 -0.613879D+00  0.726395D+00  0.126930D+00
      3  -0.214485D+00 -0.185690D+00 -0.201186D+01  0.126930D+00  0.170765D+01
               121           122           123           124           125 
      1  -0.100298D+01  0.154437D+01  0.156153D+00 -0.507042D+01  0.525582D+00
      2   0.154437D+01 -0.338994D+00 -0.109274D+01  0.525582D+00 -0.111204D+01
      3   0.156153D+00 -0.109274D+01 -0.362087D+00  0.368636D+01 -0.721626D+00
               126           127           128           129           130 
      1   0.368636D+01 -0.770568D+01 -0.742811D+00  0.130392D+01 -0.360987D+01
      2  -0.721626D+00 -0.742811D+00  0.293774D+01 -0.285947D+00  0.316075D+01
      3  -0.926499D+01  0.130392D+01 -0.285947D+00  0.153710D+01 -0.495313D+00
               131           132           133           134           135 
      1   0.316075D+01 -0.495313D+00  0.212484D+01 -0.106349D+01  0.117594D+01
      2   0.286550D+01  0.267883D+01 -0.106349D+01  0.312988D+01  0.650933D+00
      3   0.267883D+01  0.225142D+00  0.117594D+01  0.650933D+00 -0.602209D+01
               136           137           138           139           140 
      1   0.927720D+01  0.331485D+01 -0.184847D+01  0.293133D+01  0.224039D+01
      2   0.331485D+01  0.198272D+01 -0.641041D+00  0.224039D+01  0.178490D+01
      3  -0.184847D+01 -0.641041D+00  0.135886D+01 -0.623998D+00 -0.816989D+00
               141           142           143           144           145 
      1  -0.623998D+00 -0.361586D+01 -0.125033D+01  0.215187D+01  0.160214D+01
      2  -0.816989D+00 -0.125033D+01 -0.131080D+01  0.848832D+00  0.549494D+00
      3   0.499883D+00  0.215187D+01  0.848832D+00 -0.786365D+00  0.136548D+01
               146           147           148           149           150 
      1   0.549494D+00  0.136548D+01  0.191151D+00  0.477343D+00 -0.150992D+00
      2   0.520420D-02  0.126476D+00  0.477343D+00 -0.240360D+00  0.795570D+00
      3   0.126476D+00  0.970910D+00 -0.150992D+00  0.795570D+00 -0.306106D+00
               151           152           153           154           155 
      1   0.214474D+01  0.147013D-01  0.293339D+01  0.997659D+00  0.812422D+00
      2   0.147013D-01  0.137786D+01  0.603989D+00  0.812422D+00  0.203803D+00
      3   0.293339D+01  0.603989D+00  0.732905D+01 -0.108091D+01 -0.310250D+00
               156           157           158           159           160 
      1  -0.108091D+01  0.815748D+00  0.160198D+01 -0.581590D+00 -0.266541D+01
      2  -0.310250D+00  0.160198D+01  0.547386D+01 -0.265089D+01 -0.191091D+01
      3   0.286590D+00 -0.581590D+00 -0.265089D+01  0.229925D+01  0.130580D+01
               161           162           163           164           165 
      1  -0.191091D+01  0.130580D+01 -0.192881D+00  0.780744D+00  0.769869D+00
      2  -0.497567D+01  0.479972D+01  0.780744D+00 -0.745103D+00 -0.193166D+00
      3   0.479972D+01 -0.626180D+01  0.769869D+00 -0.193166D+00 -0.133346D+00
               166           167           168           169           170 
      1   0.128913D+01  0.118647D+01  0.175200D+00  0.106923D+01  0.338050D+00
      2   0.118647D+01  0.885248D+01  0.274363D+01  0.338050D+00  0.455540D+01
      3   0.175200D+00  0.274363D+01  0.207889D+01  0.512084D+00  0.353577D+01
               171           172           173           174           175 
      1   0.512084D+00  0.217648D+00  0.829992D-01  0.751647D+00  0.682063D+00
      2   0.353577D+01  0.829992D-01 -0.745863D+00  0.199845D+00 -0.326455D+00
      3   0.219970D+01  0.751647D+00  0.199845D+00 -0.106453D+01  0.595650D-01
               176           177           178           179           180 
      1  -0.326455D+00  0.595650D-01  0.144531D+01 -0.495285D+00  0.629599D+00
      2  -0.572312D+00  0.749998D+00 -0.495285D+00  0.147577D+01 -0.139582D+01
      3   0.749998D+00 -0.144708D+00  0.629599D+00 -0.139582D+01  0.759372D+01
               181           182           183           184           185 
      1   0.127762D+02 -0.185663D+01 -0.316578D+00  0.568750D+00  0.968257D+00
      2  -0.185663D+01  0.140688D+01 -0.719043D-01  0.968257D+00 -0.385840D+00
      3  -0.316578D+00 -0.719043D-01  0.106323D+01  0.824865D-01 -0.383956D+00
               186           187           188           189           190 
      1   0.824865D-01 -0.138445D+01  0.303424D+00  0.127430D+01  0.149581D+00
      2  -0.383956D+00  0.303424D+00 -0.750774D+00 -0.242361D+00 -0.715808D+00
      3   0.134389D+00  0.127430D+01 -0.242361D+00  0.124375D+00 -0.522182D+00
               191           192           193           194           195 
      1  -0.715808D+00 -0.522182D+00 -0.128224D+01  0.413133D+00 -0.715199D-01
      2  -0.128325D+01 -0.738394D-01  0.413133D+00 -0.819186D+01 -0.158205D+01
      3  -0.738394D-01 -0.503274D+00 -0.715199D-01 -0.158205D+01 -0.137047D+01
               196           197           198 
      1  -0.114928D+01  0.410042D+00 -0.137772D+00
      2   0.410042D+00 -0.241516D+01 -0.149565D+01
      3  -0.137772D+00 -0.149565D+01 -0.661601D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.125885D+01 -0.505522D-01 -0.310106D+01  0.115057D+01 -0.486946D-01
      2   0.478294D+00  0.922343D+00  0.287319D+01 -0.300023D+00 -0.472406D+00
      3  -0.708799D+01 -0.102174D+02 -0.138844D+00  0.850362D+01 -0.335100D+01
                 6             7             8             9            10 
      1  -0.143889D+01 -0.740070D+01  0.366932D+01  0.152303D+01  0.412186D+00
      2   0.523245D+01 -0.256048D+01  0.109102D+02  0.748353D+00  0.169736D+00
      3  -0.694062D-01  0.926143D+00  0.164704D+01 -0.509032D+01  0.365610D+01
                11            12            13            14            15 
      1   0.545324D+00  0.414592D+00  0.113967D+01 -0.987026D+00  0.149760D+01
      2  -0.192511D+00  0.677334D+01 -0.224164D+01 -0.357948D+00 -0.875799D+00
      3  -0.787553D+01 -0.146535D+00  0.108170D+02  0.440898D+01 -0.132793D+01
                16            17            18            19            20 
      1   0.196839D+01  0.114560D+02  0.769427D+00  0.949202D+00 -0.936360D+00
      2   0.747021D+01 -0.300354D+01 -0.246435D+01  0.409123D+00  0.497023D-01
      3   0.139305D+01 -0.205812D+00  0.195910D+01 -0.237046D+01 -0.158840D+02
                21            22            23            24            25 
      1   0.155927D+00 -0.953002D+00  0.163639D+00 -0.201473D+01  0.414348D+01
      2   0.167449D+00  0.963404D+00  0.158048D+01 -0.527062D+01 -0.874016D+01
      3  -0.532607D+00  0.649800D+00  0.150986D-01 -0.504834D+00  0.436210D+00
                26            27            28            29            30 
      1   0.272844D+01 -0.167713D+00 -0.151397D+01  0.181128D+01 -0.809209D+00
      2  -0.933793D+01 -0.919748D+00 -0.277860D+01 -0.148391D+01 -0.101489D+01
      3   0.952167D+00  0.553493D+01 -0.376499D+01  0.448520D+01  0.153843D+01
                31            32            33            34            35 
      1   0.182653D+01  0.523698D+00 -0.958423D+00 -0.279236D+01  0.641450D+01
      2   0.174001D+01 -0.161524D+01 -0.152668D+01 -0.143952D+02 -0.156216D+01
      3   0.970773D+01  0.204428D+02 -0.128281D+01  0.292833D+01 -0.162376D+01
                36            37            38            39            40 
      1   0.407880D+00  0.428283D+00  0.137157D+01  0.114816D+01  0.208121D+01
      2   0.139643D+01 -0.164519D+01 -0.759992D+00 -0.920318D+00 -0.101400D+01
      3   0.320577D+01 -0.796040D+01  0.105092D+02  0.127246D+01  0.981680D+01
                41            42            43            44            45 
      1  -0.229886D+00 -0.208308D+00  0.365250D+01  0.983153D+01 -0.428432D-01
      2   0.565766D+00  0.575536D+00 -0.124967D+02  0.554146D+00  0.834343D+00
      3  -0.624005D+01 -0.159338D+01 -0.789339D+00 -0.514697D+01 -0.233815D+01
                46            47            48            49            50 
      1   0.671190D+00 -0.553274D+00  0.261074D+01 -0.275335D+00 -0.994264D+00
      2  -0.257428D+01  0.181334D+01 -0.173918D+01 -0.509473D-01  0.439555D+00
      3   0.103978D+02 -0.518030D+01 -0.244424D+01  0.727999D+01 -0.603338D+01
                51            52            53            54            55 
      1  -0.314405D+01  0.389957D+01  0.957884D+00 -0.176413D+01 -0.983550D+00
      2   0.229725D+01 -0.136690D+02  0.170876D+01  0.244929D+01 -0.194389D+00
      3   0.171298D-01 -0.379106D+01  0.141094D+01 -0.533523D+01 -0.274643D+01
                56            57            58            59            60 
      1   0.193988D+01 -0.925068D+00  0.293542D+01 -0.950066D+00 -0.154614D+01
      2   0.652187D+00 -0.281254D+00  0.140766D+01 -0.571575D+01  0.874908D+00
      3  -0.280305D+01 -0.942893D+00  0.122508D+02  0.810027D+01  0.446872D+01
                61            62            63            64            65 
      1  -0.364587D+01  0.641906D+01  0.313600D+01 -0.328317D+01 -0.118728D+01
      2  -0.108124D+02  0.118688D+01  0.125381D+02  0.691743D+01  0.340144D+01
      3  -0.328038D+01  0.705056D+01  0.203796D+01  0.852721D+01 -0.131948D+02
                66            67            68            69            70 
      1   0.186213D+01 -0.197900D+01 -0.338904D+01 -0.271776D+01  0.386415D+01
      2  -0.171819D+01  0.380771D+01  0.355939D+01  0.435186D+00 -0.114543D+02
      3   0.152609D+01 -0.821699D+01 -0.603554D+01 -0.348332D+01  0.812891D+00
                71            72            73            74            75 
      1   0.210143D+01  0.612286D+01  0.573482D+00 -0.248438D+01 -0.495573D+00
      2  -0.119676D+01 -0.121173D+02 -0.140386D+01  0.896949D+00  0.211484D+01
      3  -0.445884D+01 -0.335900D+01 -0.780993D+01  0.798185D+00 -0.156662D+01
                76            77            78            79            80 
      1  -0.856165D+00  0.475924D+01  0.651604D+01  0.526676D+01  0.213310D+02
      2   0.231097D+00  0.258366D-01 -0.247846D+01 -0.536489D+01 -0.529204D+01
      3   0.136073D+02 -0.473605D+01  0.404803D+01 -0.740795D+00  0.750975D+01
                81            82            83            84            85 
      1  -0.632340D+01  0.308083D+00  0.368604D+00 -0.247698D+01 -0.125576D+00
      2   0.263071D+01 -0.599336D+00 -0.666882D+00  0.320777D+01  0.616269D-02
      3   0.141865D+01 -0.136316D+01 -0.465384D+01  0.286869D+00 -0.359055D+01
                86            87            88            89            90 
      1  -0.351381D-01 -0.319297D+01  0.970297D+00  0.143142D+01  0.780452D-01
      2  -0.198961D+00  0.330273D+01 -0.894226D+00 -0.802974D+00 -0.911762D-01
      3  -0.107031D+02  0.126290D+00 -0.299016D+00 -0.640715D+00  0.944311D-01
                91            92            93            94            95 
      1   0.245824D-01 -0.427328D+00  0.581232D+00 -0.197145D+00  0.131134D+00
      2  -0.197332D+01  0.237480D+00  0.649461D+01  0.924148D+00 -0.476721D+00
      3   0.245846D+01 -0.536093D+01 -0.300536D+00 -0.435514D+01  0.189281D+01
                96            97            98            99           100 
      1  -0.351465D+00 -0.532837D+00  0.396475D+00 -0.107180D+00 -0.710531D-01
      2  -0.102050D+01 -0.227857D+01  0.369133D+00 -0.604327D+00 -0.392248D+00
      3   0.587497D+00 -0.635284D+00  0.654623D+00 -0.499146D-02  0.993331D+00
               101           102           103           104           105 
      1   0.257560D+00  0.153856D+01  0.269326D-02  0.528504D+00 -0.429362D+01
      2   0.578150D+00  0.134653D+01  0.302540D+00 -0.166812D+01 -0.292662D+01
      3  -0.236918D+01 -0.393012D+00 -0.103819D+01  0.150483D+02  0.146910D+01
               106           107           108           109           110 
      1  -0.264361D+00  0.144724D+01 -0.361590D+00  0.246944D+00 -0.308425D-02
      2  -0.660500D+00  0.164798D+00 -0.435796D+00  0.656722D+00 -0.662587D+00
      3  -0.338739D+00  0.125524D+01 -0.542495D-01 -0.679699D+01  0.556398D+01
               111           112           113           114           115 
      1   0.133580D+01 -0.322389D+00  0.804081D+00 -0.427479D+01 -0.446201D+00
      2   0.166152D+00 -0.819157D+00  0.979154D+00 -0.160667D+00 -0.113720D+01
      3   0.513624D+00  0.808636D+01 -0.121911D+02 -0.107367D+01  0.102200D+01
               116           117           118           119           120 
      1   0.171036D+01 -0.251850D+00 -0.695509D+00 -0.139191D+01  0.754043D+00
      2   0.429023D+00 -0.746262D-01 -0.136704D+01 -0.203344D-01  0.307227D+01
      3  -0.188463D+01 -0.199383D-01 -0.548518D+00 -0.333099D+01  0.114695D+01
               121           122           123           124           125 
      1  -0.128924D+01 -0.578532D+00 -0.651736D+00  0.990390D+00  0.259594D+01
      2   0.312374D+00 -0.441897D+00 -0.928512D+00  0.165473D+01 -0.670881D+00
      3  -0.234307D+01 -0.808541D+00  0.232798D+01  0.174354D+01  0.216538D+01
               126           127           128           129           130 
      1  -0.373424D+01  0.249191D+01  0.137867D+00  0.282480D+01 -0.216232D+01
      2  -0.146903D+02  0.753663D+01 -0.193126D+01  0.573317D+01 -0.245315D+01
      3  -0.163337D+00  0.205016D+02 -0.121671D+02 -0.149705D+01 -0.191837D+01
               131           132           133           134           135 
      1   0.881795D+01 -0.566017D+00  0.307232D+00  0.480106D+01 -0.100945D+02
      2   0.669164D+01  0.586886D+00 -0.415621D+00  0.270541D+01 -0.156646D+02
      3  -0.172601D+02 -0.767086D+01 -0.103226D+01 -0.767388D+01 -0.433088D+01
               136           137           138           139           140 
      1   0.245178D+01  0.556067D+00 -0.241929D+01  0.740452D+00  0.804266D+00
      2  -0.489874D+01 -0.187020D+01  0.567339D+01 -0.178095D+01 -0.196664D+01
      3   0.480365D+01 -0.374587D+01 -0.102233D+01  0.264636D+00 -0.226611D+01
               141           142           143           144           145 
      1  -0.153623D+01 -0.270019D+01  0.770957D-01  0.117386D+01 -0.134362D+01
      2   0.186280D+01  0.406504D+01  0.190171D+01 -0.265712D+01  0.210701D+01
      3   0.138927D+01 -0.212720D+01  0.295652D+01  0.841327D+00 -0.668049D-01
               146           147           148           149           150 
      1   0.171319D+00 -0.144412D+01  0.426502D+00 -0.152637D+01 -0.131297D+00
      2  -0.187013D+00  0.304737D+01 -0.516232D+00  0.138649D+01 -0.516632D+00
      3  -0.182339D+00  0.156653D+01  0.152765D+01  0.241437D+01 -0.210607D+01
               151           152           153           154           155 
      1  -0.357616D+01  0.252754D+01 -0.878923D+01  0.225493D+01  0.219816D+00
      2   0.310657D+01  0.144465D+01  0.161558D+02  0.276841D+00 -0.619235D-01
      3   0.346034D+01 -0.492773D+01  0.208001D+01  0.344056D+01  0.463167D+00
               156           157           158           159           160 
      1  -0.605793D+00  0.120867D+01  0.378216D+01 -0.629045D+01 -0.291126D+01
      2   0.958523D+00  0.142967D+00 -0.186415D+01  0.195138D+01 -0.862294D+00
      3  -0.262094D+01  0.151130D+01 -0.104601D+01  0.809891D+00 -0.599552D+01
               161           162           163           164           165 
      1  -0.834030D+01  0.140848D+02 -0.136215D+01  0.581627D+00  0.481019D+00
      2   0.359456D+01 -0.483571D+01  0.371410D+00 -0.440666D+00  0.721026D+00
      3  -0.340654D+00 -0.105925D+01 -0.118574D+01  0.170043D+00  0.205117D+01
               166           167           168           169           170 
      1  -0.126348D+01 -0.750525D+01 -0.732665D+01 -0.141923D+01 -0.773788D+01
      2  -0.487932D+00  0.220525D+01  0.160650D+01 -0.786699D+00  0.243190D+01
      3   0.449376D+01 -0.519086D+01 -0.242909D+01  0.422925D+01 -0.379077D+01
               171           172           173           174           175 
      1  -0.664950D+01  0.115939D+01 -0.626688D+00 -0.169580D+01 -0.241591D+00
      2   0.147212D+01  0.262882D+01  0.370351D+00 -0.216889D+01 -0.849389D-02
      3  -0.231805D+01 -0.299870D+00  0.156467D+01 -0.178049D+01  0.121060D+01
               176           177           178           179           180 
      1   0.122130D+01 -0.990164D+00  0.359026D+00  0.121068D+01  0.134853D+02
      2   0.184722D+01 -0.580711D+00 -0.234343D+01 -0.302781D+01  0.191921D+02
      3   0.182770D+01 -0.184495D+01 -0.165284D+01 -0.336350D+01  0.349453D+01
               181           182           183           184           185 
      1  -0.280232D+00  0.182098D+00  0.196167D+01  0.364659D+00 -0.727843D+00
      2  -0.410896D+01  0.269796D-01  0.576720D+01  0.201311D+00 -0.116300D+01
      3  -0.178796D+02 -0.437534D+01  0.982595D+00 -0.193479D+01 -0.505561D+00
               186           187           188           189           190 
      1  -0.445295D+00  0.167603D+01  0.324947D+00  0.259426D+00 -0.117986D+01
      2   0.540904D+00  0.223622D+01 -0.357473D+00  0.213725D+00 -0.137370D+01
      3   0.124770D+01  0.137779D+01  0.199533D+01 -0.124618D+01  0.418753D+01
               191           192           193           194           195 
      1  -0.482158D+00 -0.169578D+01 -0.453469D+00 -0.535038D+01 -0.560459D+01
      2   0.114896D+00 -0.604163D+00 -0.366865D+00 -0.333995D+01 -0.298134D+01
      3   0.472803D+01  0.171279D+01  0.547188D+01  0.231318D+02  0.514269D+01
               196           197           198 
      1  -0.494086D+00 -0.229562D+01 -0.196588D+01
      2  -0.146319D+01 -0.306444D+01 -0.132389D+01
      3   0.235289D+01  0.645972D+01  0.465289D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.277891D+00 -0.227661D+02 -0.134294D+01  0.257478D+02  0.666709D+01
      2  -0.388177D+01  0.166416D+02 -0.177223D+00 -0.259792D+02 -0.120927D+02
      3   0.415966D+01  0.612443D+01  0.152016D+01  0.231390D+00  0.542559D+01
      4  -0.230269D+02  0.487241D+01  0.490051D+01  0.681808D+01 -0.146126D+02
      5   0.156087D+01  0.532648D+01  0.671023D+01 -0.967669D+00 -0.299497D+01
      6   0.496971D+01  0.217269D+01  0.640392D+01 -0.338384D+01  0.442155D+00
                 6             7             8             9            10 
      1   0.225055D+00  0.636032D+01  0.597350D+01  0.210962D+01 -0.141627D+02
      2   0.882562D+00 -0.471325D+01 -0.494995D+01 -0.809686D+01  0.847461D+01
      3  -0.110762D+01 -0.164707D+01 -0.102355D+01  0.598724D+01  0.568805D+01
      4  -0.382390D+01  0.467832D+01 -0.259584D+01  0.151518D+02  0.514550D+01
      5   0.112597D+02  0.217598D+02  0.174903D+02  0.154096D+01  0.939965D+01
      6   0.430574D+01  0.102243D+02  0.140876D+02 -0.233802D+01 -0.353708D+00
                11            12            13            14            15 
      1   0.222110D+01  0.633949D+01 -0.125915D+02 -0.250374D+02 -0.244976D+01
      2  -0.249132D+00 -0.382510D+01  0.109618D+02  0.246370D+02  0.317846D+01
      3  -0.197196D+01 -0.251439D+01  0.162969D+01  0.400377D+00 -0.728696D+00
      4   0.214712D+02 -0.456826D+00 -0.261768D+02  0.877171D+01  0.366605D+01
      5  -0.971426D+00  0.141619D+02 -0.482975D+01  0.306356D+01 -0.229082D+01
      6  -0.110796D+01 -0.972769D+00  0.351822D+01 -0.753882D+00 -0.360613D+01
                16            17            18            19            20 
      1   0.965988D+01 -0.382733D+01  0.134938D+02  0.151382D+02  0.221514D+02
      2  -0.354427D+01  0.281976D+01 -0.194018D+02 -0.146932D+02 -0.163783D+02
      3  -0.611561D+01  0.100756D+01  0.590795D+01 -0.444931D+00 -0.577310D+01
      4  -0.606350D+01 -0.712766D+00 -0.142348D+01  0.129087D+02 -0.134802D+02
      5   0.342863D+02 -0.336518D+01 -0.523488D+01  0.115061D+01 -0.481055D+01
      6  -0.143464D+00  0.355811D+01 -0.137004D+01 -0.323777D+01  0.478858D+01
                21            22            23            24            25 
      1  -0.430255D+00 -0.197303D+02  0.133742D+02  0.139364D+01  0.833711D-01
      2   0.377184D+00  0.184201D+02 -0.212344D+02 -0.353367D+01  0.225964D+01
      3   0.530711D-01  0.131020D+01  0.786014D+01  0.214003D+01 -0.234301D+01
      4  -0.450813D+01  0.808762D+01  0.454694D+01  0.185721D+01 -0.466121D+01
      5  -0.595517D+00 -0.507698D+00  0.220174D+01 -0.100297D+02  0.113580D+02
      6  -0.131918D+01  0.119579D+01 -0.466409D+01  0.493557D+01 -0.748866D+01
                26            27            28            29            30 
      1  -0.254359D+01 -0.350910D+01 -0.108347D+02 -0.274599D+02 -0.856318D+00
      2  -0.225716D+01 -0.509436D+01  0.936451D+01  0.219174D+02 -0.150046D+01
      3   0.480075D+01  0.860346D+01  0.147024D+01  0.554253D+01  0.235678D+01
      4   0.625192D+01 -0.154807D+02 -0.111405D+02 -0.609570D+01  0.280001D+00
      5  -0.153551D+02 -0.214762D+01 -0.995542D+00  0.570237D+00 -0.119943D+01
      6   0.133939D+02  0.203737D+01  0.365594D+00 -0.305870D+01  0.212095D+01
                31            32            33            34            35 
      1  -0.103100D+02 -0.700593D+01  0.385179D-01  0.113296D+01  0.128590D+01
      2  -0.345775D+00  0.603020D+01  0.541161D+00 -0.272261D+01 -0.110298D+01
      3   0.106557D+02  0.975734D+00 -0.579679D+00  0.158966D+01 -0.182925D+00
      4   0.780735D+01 -0.100751D+02 -0.196056D+01 -0.235972D+00  0.142408D+01
      5  -0.194373D+01 -0.193130D+01 -0.838741D+00  0.127842D+01 -0.241066D+01
      6  -0.690706D+01 -0.152094D+01  0.269905D+01  0.249693D+01  0.927445D+01
                36            37            38            39            40 
      1  -0.124580D+02 -0.243551D+02  0.415377D+01 -0.920342D-01 -0.365956D+01
      2   0.120114D+01  0.895070D+01 -0.995463D+00  0.178860D+00  0.619262D+01
      3   0.112569D+02  0.154044D+02 -0.315831D+01 -0.868259D-01 -0.253305D+01
      4  -0.148936D+01 -0.678334D+01  0.650481D+01  0.953910D+00 -0.135346D+02
      5   0.215292D+01 -0.582978D+01  0.528455D-01  0.656460D+00 -0.341449D-01
      6  -0.105251D+01  0.882764D+00 -0.149357D+01 -0.157648D+01  0.520955D+01
                41            42            43            44            45 
      1  -0.557429D+01  0.332320D+00  0.413520D+01 -0.199880D+01 -0.928248D+01
      2   0.124359D+02  0.139948D+01 -0.951031D+00  0.243859D+01 -0.360501D+01
      3  -0.686164D+01 -0.173180D+01 -0.318417D+01 -0.439786D+00  0.128875D+02
      4   0.757018D+01  0.354824D+01 -0.179182D+01  0.364393D+01 -0.159717D+01
      5   0.268719D+01  0.106318D+00  0.279125D+01  0.756493D+00  0.185837D+00
      6   0.100185D+01 -0.124878D+01 -0.136112D+01  0.333461D+01 -0.126794D-01
                46            47            48            49            50 
      1   0.767317D+01  0.103814D+02 -0.126392D+01  0.397537D+01  0.907043D+01
      2  -0.595851D+01 -0.107421D+02  0.110256D+01  0.469548D+01 -0.158704D+02
      3  -0.171465D+01  0.360706D+00  0.161361D+00 -0.867084D+01  0.679997D+01
      4   0.140501D+02 -0.191339D+02 -0.222496D+01  0.159021D+02  0.112889D+02
      5   0.194794D+00 -0.224933D+01 -0.421915D+01  0.133293D+01  0.233157D+00
      6  -0.416288D+01  0.266360D+01 -0.454096D+01  0.157309D+00 -0.456440D+01
                51            52            53            54            55 
      1   0.190812D+01 -0.165961D+01  0.433879D+00 -0.158336D+02  0.168073D+02
      2  -0.341071D+01  0.264721D+01 -0.377568D+01  0.449824D+01 -0.540228D+01
      3   0.150259D+01 -0.987598D+00  0.334180D+01  0.113354D+02 -0.114051D+02
      4   0.835254D-02  0.185735D+01  0.431184D+01  0.653165D+01  0.881972D+01
      5   0.262597D+01  0.145169D+01  0.654014D+01  0.485355D+01  0.374181D+01
      6   0.685256D+01 -0.258504D+01  0.179983D+02  0.471362D+01 -0.598299D+00
                56            57            58            59            60 
      1   0.965947D+00 -0.167886D+01  0.494904D+01 -0.783637D+01  0.134418D+01
      2   0.154954D+01 -0.321264D+01 -0.343988D+00  0.730700D+00  0.108697D+01
      3  -0.251549D+01  0.489150D+01 -0.460505D+01  0.710567D+01 -0.243115D+01
      4  -0.110827D+02  0.593601D-01 -0.208800D+02 -0.688660D+01 -0.786735D+01
      5   0.846246D+00 -0.827550D+01  0.192795D+01 -0.760054D+01  0.305413D+01
      6  -0.322869D+01  0.252514D+01 -0.516957D+01  0.292490D+01 -0.188112D+01
                61            62            63            64            65 
      1  -0.101797D+02  0.185376D+01  0.485258D+01 -0.155834D+02 -0.177739D+02
      2  -0.970179D+01  0.319800D+01  0.118046D+02  0.150186D+01  0.964272D+01
      3   0.198815D+02 -0.505176D+01 -0.166572D+02  0.140815D+02  0.813117D+01
      4   0.104570D+01 -0.122985D+02  0.525557D+01 -0.215593D+02 -0.656817D+01
      5  -0.157610D+02  0.325739D+01  0.338419D+02  0.145352D+02  0.533748D+01
      6   0.598543D+01 -0.880844D+00 -0.795418D+01  0.636182D+01  0.300207D+01
                66            67            68            69            70 
      1   0.940061D+01 -0.200827D+02  0.106025D+01  0.175162D+01  0.145134D+02
      2  -0.172526D+01  0.111743D+02  0.176092D+01  0.774197D+00 -0.976610D-01
      3  -0.767535D+01  0.890847D+01 -0.282118D+01 -0.252581D+01 -0.144157D+02
      4   0.676019D+01 -0.351632D+01  0.132874D+02  0.721452D+01  0.125480D+02
      5  -0.781247D+01  0.627606D+01  0.599270D+01  0.829107D+00 -0.135119D+02
      6  -0.359236D+01  0.422460D+01  0.557972D+01  0.186452D+01 -0.639461D+01
                71            72            73            74            75 
      1   0.664419D+01 -0.827130D+01 -0.621299D+01  0.104029D+02 -0.420538D+01
      2  -0.172055D+01  0.153978D+02  0.958305D+01 -0.585847D+01  0.430842D+01
      3  -0.492364D+01 -0.712651D+01 -0.337006D+01 -0.454440D+01 -0.103033D+00
      4   0.931024D+01 -0.624958D+01  0.467047D+01  0.551997D+01 -0.287528D-01
      5  -0.199241D+01 -0.265257D+02 -0.176724D+01  0.888818D+00 -0.866994D+00
      6   0.287812D+01 -0.101706D+02  0.814438D+00  0.564383D+01  0.166563D+00
                76            77            78            79            80 
      1   0.214066D+02  0.278032D+02  0.780598D+00 -0.887584D+01 -0.136328D+01
      2  -0.167881D+02 -0.297851D+02 -0.768983D+01  0.604384D+01 -0.863443D+01
      3  -0.461852D+01  0.198186D+01  0.690924D+01  0.283200D+01  0.999771D+01
      4   0.205057D+01 -0.586700D+01 -0.155664D+00  0.156147D+00  0.174435D+01
      5   0.179288D+01  0.498608D+00 -0.619058D+01 -0.168902D+01 -0.906998D+01
      6   0.463268D+01 -0.599607D+01 -0.205316D+02 -0.979099D+01 -0.376714D+02
                81            82            83            84            85 
      1   0.268771D+02  0.257360D+02  0.156893D+02 -0.194180D+00  0.101182D+02
      2  -0.250812D+02 -0.490279D+01  0.899042D+00  0.598497D-01  0.729418D+01
      3  -0.179589D+01 -0.208332D+02 -0.165884D+02  0.134330D+00 -0.174124D+02
      4  -0.692759D+01  0.382389D+02  0.337117D+02 -0.933715D+00  0.369374D+02
      5   0.716979D+01 -0.225215D+00 -0.486734D+00  0.604776D+01  0.799279D+00
      6   0.159681D+02 -0.106373D+01 -0.110020D+01  0.358897D+01 -0.265296D+00
                86            87            88            89            90 
      1   0.439408D+01  0.232763D+00 -0.159948D+01 -0.120967D+01  0.412621D+00
      2   0.173571D+02 -0.387938D+00  0.905732D+00  0.838687D+00  0.111443D+01
      3  -0.217512D+02  0.155175D+00  0.693749D+00  0.370980D+00 -0.152705D+01
      4   0.459638D+02 -0.726060D-01 -0.137108D+01 -0.559727D+00  0.317973D+01
      5   0.786982D+00  0.522066D+01  0.230592D+01  0.167769D+01 -0.353206D+00
      6  -0.621123D+00  0.546250D+01  0.169866D+01  0.246938D+01 -0.110734D+00
                91            92            93            94            95 
      1   0.101371D+03 -0.986424D+01 -0.864636D+01 -0.968999D+01  0.103241D+02
      2  -0.593306D+02  0.535467D+01  0.619591D+01  0.477945D+01 -0.507044D+01
      3  -0.420407D+02  0.450957D+01  0.245045D+01  0.491054D+01 -0.525369D+01
      4  -0.142343D+02  0.979309D+01  0.128846D+01  0.166719D+02 -0.488128D+01
      5  -0.127333D+02  0.129879D+01  0.117561D+02  0.255577D+01 -0.170706D+01
      6   0.174315D+00 -0.664135D+00 -0.698059D+00 -0.122055D+01  0.295944D+00
                96            97            98            99           100 
      1   0.146770D+01 -0.113751D+02  0.163237D+01  0.443586D+01  0.592477D+01
      2  -0.107112D+01  0.712528D+01 -0.943539D+00 -0.277327D+01  0.216516D+01
      3  -0.396589D+00  0.424977D+01 -0.688828D+00 -0.166259D+01 -0.808993D+01
      4  -0.176996D+01  0.285685D+01 -0.138069D+01 -0.127017D+01 -0.181926D+02
      5  -0.156518D+01  0.496948D+01 -0.544402D+00 -0.264859D+01 -0.204034D+01
      6   0.162784D+01 -0.519235D+00  0.919268D+00  0.487384D+00  0.178976D+01
               101           102           103           104           105 
      1  -0.477609D+01 -0.551486D+00  0.554429D-01 -0.143292D+02 -0.163346D+01
      2  -0.385847D+01  0.488418D-01 -0.989650D+01  0.344437D+02  0.226026D+01
      3   0.863456D+01  0.502644D+00  0.984105D+01 -0.201145D+02 -0.626800D+00
      4   0.213422D+02  0.269646D+01  0.246494D+02 -0.466266D+02 -0.443964D+01
      5   0.235052D+01  0.343070D+01  0.207839D+01 -0.336231D+01 -0.508062D+01
      6  -0.211978D+01 -0.239267D+01 -0.242596D+01  0.605153D+01  0.740610D+01
               106           107           108           109           110 
      1  -0.651495D+00 -0.897143D+00 -0.180252D+01 -0.453055D+01  0.787446D+01
      2  -0.601930D+00  0.260181D+01  0.284700D+01  0.668265D+01 -0.966871D+01
      3   0.125343D+01 -0.170467D+01 -0.104448D+01 -0.215210D+01  0.179426D+01
      4   0.395363D+01 -0.557903D+01 -0.268298D+01 -0.338617D+01  0.782717D+01
      5   0.170831D+01 -0.185818D+01 -0.131306D+01  0.347140D+00  0.205805D-01
      6  -0.179496D+01  0.406258D+01  0.167954D+01  0.119101D+01 -0.215063D+01
               111           112           113           114           115 
      1   0.144312D+01  0.626852D+01 -0.364773D+02 -0.383971D+01  0.114374D+01
      2  -0.943587D+00 -0.822877D+01  0.510134D+02  0.379904D+01 -0.135474D+01
      3  -0.499531D+00  0.196025D+01 -0.145361D+02  0.406682D-01  0.211001D+00
      4   0.339794D+00  0.600476D+01  0.318497D+01  0.554428D+00  0.290415D+00
      5   0.849874D+00  0.468734D-01  0.180049D+01  0.638550D+00  0.517978D+00
      6  -0.183505D+01 -0.109355D+01  0.728158D+01  0.765712D+01 -0.558581D+00
               116           117           118           119           120 
      1  -0.359039D+01 -0.206206D+01  0.411074D+01 -0.736161D+00 -0.422920D+01
      2   0.417420D+01  0.253156D+01 -0.764081D+01  0.274764D+00  0.592620D+01
      3  -0.583808D+00 -0.469495D+00  0.353007D+01  0.461398D+00 -0.169700D+01
      4  -0.415118D+00 -0.146725D+01 -0.371702D+01  0.656738D+01  0.177680D+01
      5  -0.503546D+00 -0.422480D+00 -0.109651D+02  0.114945D+01  0.138452D+02
      6   0.353732D+01  0.162524D+01  0.211648D+01 -0.777332D-01 -0.158817D+01
               121           122           123           124           125 
      1  -0.435728D+00 -0.150368D+01 -0.492196D+00 -0.121992D+01 -0.972904D+00
      2  -0.416627D+00 -0.106890D+01  0.293744D+00  0.123269D+02 -0.120164D+01
      3   0.852355D+00  0.257258D+01  0.198452D+00 -0.111069D+02  0.217454D+01
      4   0.940279D+01 -0.263654D+01 -0.453705D+01  0.422524D+01 -0.536461D+01
      5   0.588945D+00 -0.450078D+01 -0.146468D+01  0.217229D+02 -0.368217D+01
      6  -0.169658D+01  0.136191D+01  0.734260D+01 -0.395803D+01  0.510381D+01
               126           127           128           129           130 
      1  -0.128516D+02 -0.589095D+02  0.886730D+01  0.453740D+01 -0.284537D+01
      2  -0.222890D+02  0.336326D+02 -0.126834D+02 -0.462860D+01 -0.435462D+01
      3   0.351406D+02  0.252768D+02  0.381607D+01  0.911985D-01  0.719999D+01
      4  -0.360812D+01  0.140431D+02  0.137916D+02 -0.319532D+01  0.204539D+02
      5  -0.381576D+02  0.458498D+01 -0.118580D+01  0.765224D+01 -0.364254D+01
      6   0.919049D+01 -0.647279D+01  0.208517D+01 -0.523599D+01  0.377485D+01
               131           132           133           134           135 
      1   0.237161D+02  0.528428D+01  0.909391D+01  0.321585D+01  0.158433D+02
      2  -0.266360D+02 -0.110250D+02 -0.201329D+01 -0.124066D+02  0.141056D-01
      3   0.291985D+01  0.574071D+01 -0.708062D+01  0.919076D+01 -0.158574D+02
      4   0.407553D+01  0.121567D+02 -0.891939D+01  0.143347D+02 -0.297218D+01
      5   0.144908D+02  0.965507D+00  0.727727D+01  0.188084D+01 -0.253006D+02
      6  -0.127113D+02 -0.347319D+00 -0.420387D+01 -0.142178D+01  0.172800D+02
               136           137           138           139           140 
      1   0.499396D+02  0.142739D+02 -0.957131D+01  0.112956D+02  0.616013D+01
      2  -0.224037D+02 -0.340771D+01  0.443608D+01 -0.120661D+01  0.256156D+01
      3  -0.275358D+02 -0.108662D+02  0.513524D+01 -0.100890D+02 -0.872169D+01
      4   0.352123D+02  0.201508D+02 -0.692145D+01  0.204359D+02  0.146186D+02
      5  -0.141782D+02 -0.451764D+01  0.106595D+02 -0.434077D+01 -0.524875D+01
      6  -0.595367D+01 -0.297748D+01  0.441660D+01 -0.309189D+01 -0.324583D+01
               141           142           143           144           145 
      1  -0.154990D+01 -0.148421D+02 -0.300691D+01  0.732059D+01  0.725788D+01
      2  -0.675528D+00  0.765462D+01 -0.499473D-01 -0.609398D+01 -0.647416D+01
      3   0.222543D+01  0.718749D+01  0.305686D+01 -0.122661D+01 -0.783729D+00
      4  -0.574912D+01 -0.117779D+02 -0.920831D+01  0.807919D+01  0.544403D+01
      5   0.342481D+01  0.151776D+02  0.573813D+01 -0.696369D+01  0.821068D+01
      6   0.320970D+01  0.694659D+01  0.390856D+01 -0.345108D+01  0.250410D+01
               146           147           148           149           150 
      1   0.341601D+01  0.499418D+01  0.593737D+00 -0.101819D+01 -0.172894D+01
      2  -0.201066D+01 -0.498780D+01  0.107804D+01 -0.132771D+01  0.247796D+01
      3  -0.140535D+01 -0.638174D-02 -0.167178D+01  0.234591D+01 -0.749025D+00
      4   0.271184D+01  0.224831D+01  0.396511D+01 -0.108248D+01  0.400987D+01
      5   0.525855D+00  0.955900D+01 -0.124639D+01  0.397306D+01 -0.167707D+01
      6   0.918635D+00  0.194192D+01  0.115567D+01  0.134219D+01  0.474341D+01
               151           152           153           154           155 
      1   0.749891D+01 -0.227021D+01 -0.164001D+01  0.140182D+00  0.747374D+00
      2  -0.109616D+02  0.184224D+01 -0.186621D+02 -0.960802D+00 -0.479396D+00
      3   0.346272D+01  0.427967D+00  0.203021D+02  0.820620D+00 -0.267978D+00
      4   0.427164D+01  0.710528D+01  0.664027D+01  0.303335D+01  0.658815D+01
      5   0.184213D+02  0.340733D+01  0.347194D+02 -0.234085D+01 -0.350378D+01
      6   0.638516D+01  0.478653D+01  0.154242D+02 -0.652561D+01 -0.174893D+01
               156           157           158           159           160 
      1  -0.860112D+00 -0.473118D+01 -0.232508D+02  0.114262D+02  0.390034D+01
      2   0.105242D+00  0.581514D+01  0.266173D+02 -0.109064D+02 -0.287233D+01
      3   0.754870D+00 -0.108397D+01 -0.336654D+01 -0.519820D+00 -0.102801D+01
      4  -0.549686D+01  0.495671D+01  0.823015D+01 -0.419546D+01 -0.882509D+01
      5   0.568649D+01 -0.212789D+01 -0.475063D+01  0.409015D+01  0.648471D+01
      6   0.139467D+01 -0.409501D+01 -0.181984D+02  0.174395D+02  0.853270D+01
               161           162           163           164           165 
      1   0.216530D+02 -0.251157D+02 -0.686305D+00  0.411331D+01  0.241580D+01
      2  -0.172177D+02  0.119157D+02  0.286098D+01 -0.453352D+01 -0.185158D+01
      3  -0.443530D+01  0.132000D+02 -0.217468D+01  0.420211D+00 -0.564215D+00
      4  -0.851290D+01  0.685115D+01  0.109083D+01  0.773935D+01  0.378186D+01
      5   0.902301D+01 -0.108892D+02  0.109692D+01  0.173835D+01  0.256652D+01
      6   0.314811D+02 -0.344119D+02  0.494070D+01 -0.133088D+01 -0.847604D+00
               166           167           168           169           170 
      1  -0.274926D+01 -0.355511D+02 -0.112106D+02  0.426178D+00 -0.188710D+02
      2   0.444111D+01  0.514433D+02  0.158191D+02  0.118274D+01  0.246062D+02
      3  -0.169185D+01 -0.158922D+02 -0.460846D+01 -0.160892D+01 -0.573523D+01
      4   0.682062D+01  0.103656D+02  0.303271D+01  0.539362D+01  0.537947D+01
      5   0.159654D+01  0.361775D+01  0.305771D+01  0.327589D+01  0.517767D+01
      6   0.164396D+01  0.214980D+02  0.157652D+02  0.370815D+01  0.249306D+02
               171           172           173           174           175 
      1  -0.160138D+02  0.340445D+01 -0.248686D+01  0.601824D+01  0.124397D+01
      2   0.147583D+02 -0.405553D+01  0.302772D+01 -0.136101D+01 -0.674980D+00
      3   0.125548D+01  0.651074D+00 -0.540862D+00 -0.465723D+01 -0.568986D+00
      4   0.412924D+01 -0.310142D+00 -0.210323D+01 -0.206853D+01 -0.101310D+01
      5   0.243136D+01  0.253239D+01  0.327768D-01  0.140048D-01  0.468141D+00
      6   0.153210D+02 -0.205525D+01 -0.151829D+01  0.323006D+01  0.102000D+00
               176           177           178           179           180 
      1  -0.631033D+01  0.249266D+01  0.607470D+01  0.371983D+01 -0.179642D+02
      2   0.415634D+01 -0.271185D+01 -0.345437D+01 -0.262316D+01 -0.926204D+01
      3   0.215399D+01  0.219187D+00 -0.262033D+01 -0.109667D+01  0.272262D+02
      4  -0.119963D+01  0.292099D+01 -0.625657D+01  0.709753D+01 -0.300644D+01
      5   0.250768D+01 -0.705818D+00  0.761800D+01 -0.627665D+01  0.326372D+02
      6  -0.260033D+01  0.618320D+01 -0.209564D+01  0.919871D+01 -0.256559D+02
               181           182           183           184           185 
      1   0.874796D+02 -0.833192D+01 -0.341175D+01  0.521723D+01  0.505679D+01
      2  -0.450905D+02  0.960396D+00  0.151224D+01 -0.584442D+01  0.886250D-02
      3  -0.423891D+02  0.737152D+01  0.189952D+01  0.627186D+00 -0.506565D+01
      4  -0.363930D+02  0.156207D+02  0.778402D+00  0.906044D+01 -0.375240D+01
      5   0.195852D+01 -0.558864D+00  0.100623D+02  0.513166D+00 -0.170355D+01
      6   0.198634D+01  0.751685D+00 -0.384341D+01  0.345604D+00  0.131843D+01
               186           187           188           189           190 
      1  -0.929330D+00 -0.701798D+01 -0.443628D+00  0.643631D+01  0.199828D+01
      2   0.146371D+01  0.359693D+01  0.212681D+01 -0.529888D+01  0.186443D+01
      3  -0.534384D+00  0.342105D+01 -0.168318D+01 -0.113743D+01 -0.386271D+01
      4  -0.188118D+01  0.371453D+01 -0.373634D+01 -0.306790D+01 -0.208621D+01
      5   0.926544D+00  0.116045D+02 -0.168851D+01 -0.372875D+00 -0.175103D+01
      6   0.630792D+00 -0.370842D+01  0.174922D+01 -0.564648D+00  0.232666D+01
               191           192           193           194           195 
      1  -0.862626D+01 -0.249884D+01 -0.526429D+01 -0.278134D+02 -0.589016D+01
      2   0.937903D+01  0.230394D+01  0.166401D+01  0.480522D+02  0.952825D+01
      3  -0.752771D+00  0.194899D+00  0.360028D+01 -0.202388D+02 -0.363809D+01
      4   0.373822D+00  0.154014D+01  0.866721D+01 -0.324563D+02 -0.602966D+01
      5  -0.284646D+00 -0.136552D+01 -0.336345D+00 -0.805378D+01 -0.635602D+01
      6   0.550729D+00  0.265393D+01 -0.124000D+00  0.734782D+01  0.881327D+01
               196           197           198 
      1  -0.425965D+01 -0.646387D+01 -0.785987D+01
      2   0.158812D+01  0.111906D+02  0.669310D+01
      3   0.267153D+01 -0.472670D+01  0.116678D+01
      4   0.491106D+01 -0.102395D+02 -0.457570D+01
      5   0.523652D+00 -0.637468D+01 -0.271662D+01
      6   0.452150D+00  0.942407D+01  0.493496D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.228478D+00      0.580733D+00      0.193712D+01
   y          0.849445D-01      0.215907D+00      0.720189D+00
   z         -0.465018D-01     -0.118196D+00     -0.394258D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.137958D+03      0.204432D+02      0.227462D+02
   yx         0.163919D+01      0.242903D+00      0.270266D+00
   yy         0.121490D+03      0.180029D+02      0.200309D+02
   zx        -0.354524D+01     -0.525350D+00     -0.584531D+00
   zy         0.151232D+01      0.224103D+00      0.249348D+00
   zz         0.749665D+02      0.111089D+02      0.123603D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116339D+03      0.172397D+02      0.191817D+02
   aniso      0.580136D+02      0.859673D+01      0.956516D+01
   xx         0.143571D+03      0.212750D+02      0.236717D+02
   yx         0.182749D+01      0.270806D+00      0.301312D+00
   yy         0.126122D+03      0.186894D+02      0.207947D+02
   zx        -0.351309D+01     -0.520586D+00     -0.579230D+00
   zy         0.156966D+01      0.232600D+00      0.258802D+00
   zz         0.793237D+02      0.117546D+02      0.130787D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.56469655          1.00365449         -4.55743152
     6         -1.20986827         -1.54511696         -4.60129481
     6         -1.30345256         -2.93267351         -2.36616220
     6         -0.73934845         -1.74384953         -0.09972884
     6         -0.09110474          0.81339270         -0.05371423
     6         -0.00390573          2.19672292         -2.27856556
     6          0.40639081          1.68329970          2.62667135
     6          0.80348043         -0.84403721          4.03702730
     6         -0.73210609         -2.81674549          2.54175414
     1         -0.48852925          2.06263104         -6.30614058
     1         -1.63120726         -2.45621651         -6.38386003
     1         -1.79798374         -4.91928057         -2.40719885
     1          0.50546046          4.17909947         -2.25955092
     1         -1.32533153          2.57546650          3.34296304
     6          2.57573924          3.55181208          2.93253577
     1          0.27173336         -0.73516801          6.02457714
     1          2.80931069         -1.33543593          3.95290119
     1         -2.66869843         -2.94366091          3.26328352
     1          0.07298243         -4.71211499          2.64459003
     1          4.32875066          2.75645476          2.18752716
     1          2.87317206          4.01252755          4.92196496
     1          2.20357921          5.31694588          1.93240411

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.248154D+00      0.630743D+00      0.210393D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.805435D+02      0.119353D+02      0.132798D+02
   yx         0.137380D+02      0.203576D+01      0.226508D+01
   yy         0.117992D+03      0.174846D+02      0.194542D+02
   zx         0.986082D+01      0.146122D+01      0.162583D+01
   zy         0.120081D+01      0.177942D+00      0.197987D+00
   zz         0.135879D+03      0.201351D+02      0.224034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.116339D+03      0.172397D+02      0.191817D+02
   aniso      0.580136D+02      0.859673D+01      0.956516D+01
   xx         0.849833D+02      0.125932D+02      0.140118D+02
   yx         0.137997D+02      0.204491D+01      0.227527D+01
   yy         0.122601D+03      0.181675D+02      0.202141D+02
   zx         0.101855D+02      0.150934D+01      0.167937D+01
   zy         0.127492D+01      0.188924D+00      0.210206D+00
   zz         0.141433D+03      0.209583D+02      0.233192D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-32\Freq\RM11\Gen\C10H12\PIERPA\23-Jul-2021\0\\#P M11/
 Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Rea
 d Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-2.164986,-1.22492,
 -0.005005\C,-2.64202,0.073409,0.14669\C,-1.762079,1.153232,0.130794\C,
 -0.405452,0.917524,-0.034454\C,0.074285,-0.384887,-0.1864\C,-0.802207,
 -1.459935,-0.173869\C,1.57772,-0.384146,-0.367381\C,1.970002,1.020984,
 0.144037\C,0.731931,1.906712,-0.098518\H,-2.85672,-2.057467,0.013689\H
 ,-3.702276,0.24425,0.283207\H,-2.135971,2.162786,0.253773\H,-0.437393,
 -2.473544,-0.28667\H,1.78987,-0.436688,-1.443748\C,2.317593,-1.524644,
 0.320775\H,2.87317,1.403772,-0.331853\H,2.163642,0.958387,1.218672\H,0
 .772481,2.369953,-1.090624\H,0.637692,2.716269,0.626868\H,2.108272,-1.
 526468,1.392826\H,3.39662,-1.425796,0.184958\H,2.021897,-2.495429,-0.0
 8111\\Version=ES64L-G16RevA.03\State=1-A\HF=-388.4843583\RMSD=4.061e-0
 9\RMSF=3.841e-06\ZeroPoint=0.1920584\Thermal=0.2003641\Dipole=0.228478
 ,0.0849445,-0.0465018\DipoleDeriv=-0.0445121,0.0259601,-0.0107133,0.09
 50944,0.0385571,0.0000125,-0.0031683,0.0095673,-0.1496511,0.0317622,-0
 .005505,-0.0306018,-0.0777093,-0.0579125,0.02015,-0.0232514,0.0103602,
 -0.1459145,-0.0148712,-0.1006101,-0.0178892,-0.0724145,0.0820454,0.026
 2812,-0.0127363,0.0387885,-0.1167244,-0.0406253,0.1386755,-0.0087303,0
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 I MET A TRAVELLER FROM AN ANTIQUE LAND
 WHO SAID... TWO VAST AND TRUNKLESS LEGS OF STONE
 STAND IN THE DESERT..... NEAR THEM,  ON THE SAND,
 HALF SUNK,  A SHATTERED VISAGE LIES,  WHOSE FROWN,
 AND WRINKLED LIP,  AND SNEER OF COLD COMMAND
 TELL THAT ITS SCULPTOR WELL THOSE PASSIONS READ
 WHICH YET SURVIVE,  STAMPED ON THESE LIFELESS THINGS
 THE HAND THAT MOCKED THEM,  AND THE HEART THAT FED-
 AND ON THE PEDESTAL THESE WORDS APPEAR 
 MY NAME IS OZYMANDIAS, KING OF KINGS--   
 LOOK ON MY WORKS YE MIGHTY AND DESPAIR. 
 NOTHING BESIDE REMAINS,  ROUND THE DECAY 
 OF THAT COLOSSAL WRECK,  BOUNDLESS AND BARE
 THE LONE AND LEVEL SANDS STRETCH FAR AWAY.
                                    SHELLEY
 Job cpu time:       0 days  5 hours 33 minutes 10.1 seconds.
 Elapsed time:       0 days  0 hours 20 minutes 52.0 seconds.
 File lengths (MBytes):  RWF=    256 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 16:14:19 2021.
